Geometry & MOs

Info

ID:	68074
PubChem CID:	46507714
Reduced:	O2N5H17C19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	302.057053
ΔH_f, kcal/mol:	17.63
Dipole, Da:	3.31
IP(EA), eV:	-8.63(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)N3C4=CC=CC=C4N=CC3=N2)C

DOS

IR

Vibrations