Geometry & MOs

Info

ID:	431326
PubChem CID:	135171397
Reduced:	NO2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	664.329252
ΔH_f, kcal/mol:	-42.08
Dipole, Da:	2.98
IP(EA), eV:	-9.24(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-chloro-3-[[5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]-2-methylphenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C/C=C(/CNCCO)\C=C/C(=C)C=O

DOS

IR

Vibrations