Geometry & MOs

Info

ID:	68076
PubChem CID:	46507717
Reduced:	O3N4C16H16 (1)
Stoich.:	A3B4C16D16 (1)
Weight, g/mol:	316.072703
ΔH_f, kcal/mol:	-46.36
Dipole, Da:	2.72
IP(EA), eV:	-8.16(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=CNN3C2=NC(=CC3=O)C

DOS

IR

Vibrations