Geometry & MOs

Info

ID:	35586
PubChem CID:	7980066
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	401.150619
ΔH_f, kcal/mol:	-54.67
Dipole, Da:	1.93
IP(EA), eV:	-9.22(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(4-tert-butylbenzoyl)hydrazinyl]-3-oxopropyl]-2-chlorobenzamide

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)C(=O)NNC(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations