Geometry & MOs

Info

ID:	162981
PubChem CID:	57581207
Reduced:	FN2C6H13 (1)
Stoich.:	AB2C6D13 (1)
Weight, g/mol:	458.127631
ΔH_f, kcal/mol:	-47.33
Dipole, Da:	0.87
IP(EA), eV:	-8.97(2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-methoxy-N-(4-methylpiperidin-1-yl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CNN1CCCC(C1)F

DOS

IR

Vibrations