Geometry & MOs

Info

ID:	431184
PubChem CID:	135171254
Reduced:	IN2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	695.287447
ΔH_f, kcal/mol:	73.13
Dipole, Da:	3.7
IP(EA), eV:	-8.22(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-chloro-3-[[5-(dimethoxymethyl)pyridine-2-carbonyl]amino]phenyl]-2-methylphenyl]-5-[[2-(cyclobutanecarbonyl)piperidin-1-yl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCI

DOS

IR

Vibrations