Geometry & MOs

Info

ID:	55802
PubChem CID:	17396578
Reduced:	ClN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	357.04767
ΔH_f, kcal/mol:	-110.52
Dipole, Da:	2.67
IP(EA), eV:	-9.69(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-methylanilino)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)NC(=O)CN2C(=O)C3CC=CCC3C2=O

DOS

IR

Vibrations