Geometry & MOs

Info

ID:	153846
PubChem CID:	56313167
Reduced:	NOC13H14 (2)
Stoich.:	ABC13D14 (2)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	-34.11
Dipole, Da:	4.11
IP(EA), eV:	-9.3(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-phenylbutyl)-4-pyrazol-1-ylbenzamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations