Geometry & MOs

Info

ID:	129681
PubChem CID:	51073549
Reduced:	OSN2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	296.09094
ΔH_f, kcal/mol:	-6.47
Dipole, Da:	2.81
IP(EA), eV:	-8.49(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-nitroanilino)methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NCC(=O)NC(C)C2=CC=CS2

DOS

IR

Vibrations