Geometry & MOs

Info

ID:	122037
PubChem CID:	50790693
Reduced:	ClON4H21C23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	40.52
Dipole, Da:	3.79
IP(EA), eV:	-8.79(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-diethoxyphenyl)-2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C3N=CC(=C(N3N=C2C)C)C(=O)NC4=C(C(=CC=C4)Cl)C

DOS

IR

Vibrations