Geometry & MOs

Info

ID:	167423
PubChem CID:	74827168
Reduced:	ClON3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	446.075738
ΔH_f, kcal/mol:	-12.07
Dipole, Da:	5.07
IP(EA), eV:	-9.34(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-3-methylidene-5-oxo-N-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CC(=O)NC(C)C2=CN=C(C=N2)Cl

DOS

IR

Vibrations