Geometry & MOs

Info

ID:

326765

PubChem CID:

126688156

Reduced:

OF3N4H27C30 (1)

Stoich.:

AB3C4D27E30 (1)

Weight, g/mol:

691.334539

ΔHf, kcal/mol:

-59.83

Dipole, Da:

4.52

IP(EA), eV:

 -9.2(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[3-[(3-butoxyphenyl)-(cyclopropylmethylamino)methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1CC1CC=C(C2=CC=CC=C2)C3=CC(=CC=C3)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)CN)C(F)(F)F

DOS

IR

Vibrations