Geometry & MOs

Info

ID:	122040
PubChem CID:	50790834
Reduced:	ClO2N4H21C23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	455.232125
ΔH_f, kcal/mol:	10.18
Dipole, Da:	6.94
IP(EA), eV:	-8.69(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,7-dimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations