Geometry & MOs

Info

ID:	154048
PubChem CID:	56313414
Reduced:	FN2O4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	353.12949
ΔH_f, kcal/mol:	-179.75
Dipole, Da:	4.17
IP(EA), eV:	-8.35(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1CC(=O)N(C1)C2=C(C=C(C=C2)OC)OC)C3=CC=CC=C3F

DOS

IR

Vibrations