Geometry & MOs

Info

ID:	154485
PubChem CID:	56313930
Reduced:	FNO2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	353.12949
ΔH_f, kcal/mol:	-84.54
Dipole, Da:	4.59
IP(EA), eV:	-8.95(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chlorophenyl)-N-(3-phenylbutyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C=C/C(=O)NCC(C)(C)C2=CC=CC=C2F

DOS

IR

Vibrations