Geometry & MOs

Info

ID:	129682
PubChem CID:	51073551
Reduced:	O3N4H12C15 (1)
Stoich.:	A3B4C12D15 (1)
Weight, g/mol:	310.10659
ΔH_f, kcal/mol:	29.42
Dipole, Da:	9.09
IP(EA), eV:	-9.0(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-5-nitroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC2=NC(=CC(=O)N2C=C1)CNC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations