Geometry & MOs

Info

ID:	433587
PubChem CID:	135173727
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	478.213554
ΔH_f, kcal/mol:	-115.19
Dipole, Da:	1.72
IP(EA), eV:	-9.3(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-3-[2-(dimethylamino)-3-methylphenyl]phenyl]-1-methyl-2-oxo-5-(pyrrolidin-1-ylmethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(N2C)C=O

DOS

IR

Vibrations