Geometry & MOs

Info

ID:	376640
PubChem CID:	134222661
Reduced:	FO2N4C33H39 (1)
Stoich.:	AB2C4D33E39 (1)
Weight, g/mol:	538.330777
ΔH_f, kcal/mol:	-91.74
Dipole, Da:	7.2
IP(EA), eV:	-8.87(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3,3-dimethylcyclobutyl)phenyl]-5-phenylpyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N(C)C1CCC(CC1)CC(=O)NC2=CC(=C(N=C2)C3=CC=C(C=C3)C4(CC(C4)(C)F)N)C5=CC=CC=C5

DOS

IR

Vibrations