Geometry & MOs

Info

ID:

323469

PubChem CID:

126674913

Reduced:

N4H88C117 (1)

Stoich.:

A4B88C117 (1)

Weight, g/mol:

393.166411

ΔHf, kcal/mol:

426.88

Dipole, Da:

3.75

IP(EA), eV:

 -7.87(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-(pyridin-4-ylmethoxy)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC=C(C=C7)N(C8=CC=C(C=C8)C9=CC(=CC=C9)C1=CC=CC(=C1)C1=CC=C(C=C1)N(C1=CC=C(C=C1)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C1=CC2=C(C=C1)C1=CC=CC=C1C2(C)C)C

DOS

IR

Vibrations