Geometry & MOs

Info

ID:	322043
PubChem CID:	126668391
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	310.142976
ΔH_f, kcal/mol:	-33.15
Dipole, Da:	8.48
IP(EA), eV:	-8.24(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butan-2-ylphenyl)-5-oxo-1H-imidazo[1,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CN=C3N(C=CN3C2=O)C

DOS

IR

Vibrations