Geometry & MOs

Info

ID:	142523
PubChem CID:	53049848
Reduced:	ClO3N4H23C27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	486.145868
ΔH_f, kcal/mol:	-15.57
Dipole, Da:	5.3
IP(EA), eV:	-8.7(-0.78)
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-(4-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)CN3C(=O)CCN4C3=CC(=N4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations