Geometry & MOs

Info

ID:

311892

PubChem CID:

126598940

Reduced:

SN5H79C96 (1)

Stoich.:

AB5C79D96 (1)

Weight, g/mol:

460.160992

ΔHf, kcal/mol:

284.62

Dipole, Da:

4.52

IP(EA), eV:

 -7.84(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[2-methoxy-5-[6-[[3-(trifluoromethoxy)phenyl]methylamino]pyridin-3-yl]phenyl]propanoate

Drug info:

PubChemData

Smile

CC1(C2=C(C=C3C(=C2)C4=C(N3)C=CC(=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC9=C8SC2=CC=CC(=C92)CC2(C(C3=C(C2(C)C)C=C2C(=C3)C3=C(N2)C=CC(=C3)C2=CC3=C(C=C2)N(C2=CC=CC=C23)C2=CC3=C(C=C2)N(C2=CC=CC=C23)C2=CC=CC=C2)(C)C)C)C(C1(C)C)(C)C)C

DOS

IR

Vibrations