Geometry & MOs

Info

ID:	142521
PubChem CID:	53049698
Reduced:	ClSO2N3C20H22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	516.156433
ΔH_f, kcal/mol:	-24.32
Dipole, Da:	5.37
IP(EA), eV:	-8.62(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-(3,4-dimethoxyphenyl)benzamide

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=O)CN2C3=C(C=C(C=C3)Cl)C=C2C4=CC=CS4

DOS

IR

Vibrations