Geometry & MOs

Info

ID:	154266
PubChem CID:	56313675
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	364.153541
ΔH_f, kcal/mol:	-74.82
Dipole, Da:	2.43
IP(EA), eV:	-9.44(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC=C(C=C1)C(=O)NC(C)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations