Geometry & MOs

Info

ID:	34536
PubChem CID:	7978637
Reduced:	ClN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	400.17467
ΔH_f, kcal/mol:	-102.73
Dipole, Da:	4.95
IP(EA), eV:	-8.71(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(adamantane-1-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)OCC(=O)NC2=CC=CC(=C2)C)Cl

DOS

IR

Vibrations