Geometry & MOs

Info

ID:

327644

PubChem CID:

126690597

Reduced:

ON6C19H22 (1)

Stoich.:

AB6C19D22 (1)

Weight, g/mol:

660.219569

ΔHf, kcal/mol:

45.59

Dipole, Da:

2.04

IP(EA), eV:

 -8.7(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,2-dihydroxyethyl)-4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]-N-[[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=CC(=C1)C2=CC3=C(N=C2)N(C=C3CN4CCCC4)N

DOS

IR

Vibrations