Geometry & MOs

Info

ID:	322091
PubChem CID:	126668557
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	319.132077
ΔH_f, kcal/mol:	-39.09
Dipole, Da:	6.66
IP(EA), eV:	-8.39(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CN=C3C(=CC=CN3C2=O)C

DOS

IR

Vibrations