Geometry & MOs

Info

ID:	433600
PubChem CID:	135173740
Reduced:	ClO2N6H29C33 (1)
Stoich.:	AB2C6D29E33 (1)
Weight, g/mol:	403.08954
ΔH_f, kcal/mol:	59.42
Dipole, Da:	5.96
IP(EA), eV:	-8.24(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-1-methyl-2-oxo-5-(pyrrolidin-1-ylmethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)C=O)C4=C(C(=CC=C4)NC(=O)C5=NC=C(C=C5)CN6CCCC6)Cl

DOS

IR

Vibrations