Geometry & MOs

Info

ID:	154793
PubChem CID:	56314318
Reduced:	SN2O4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	367.14514
ΔH_f, kcal/mol:	-141.33
Dipole, Da:	2.39
IP(EA), eV:	-9.24(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-5-methyl-N-(3-phenylbutyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C(=O)NCCC(C)C2=CC=CC=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations