Geometry & MOs

Info

ID:	153451
PubChem CID:	56312651
Reduced:	FNO3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	353.12949
ΔH_f, kcal/mol:	-120.51
Dipole, Da:	5.52
IP(EA), eV:	-8.82(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-(3-phenylbutyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CC1=COC2=C1C=CC(=C2)OC)C3=CC=CC=C3F

DOS

IR

Vibrations