Geometry & MOs

Info

ID:	153631
PubChem CID:	56312905
Reduced:	ClON4C19H25 (1)
Stoich.:	ABC4D19E25 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	-8.35
Dipole, Da:	6.09
IP(EA), eV:	-8.67(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-phenyl-N-(3-phenylbutyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C(=N1)C(=O)NCCC(C)C2=CC=CC=C2)Cl

DOS

IR

Vibrations