Geometry & MOs

Info

ID:	20742
PubChem CID:	585463
Reduced:	ClN2O3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	362.13972
ΔH_f, kcal/mol:	-66.61
Dipole, Da:	6.33
IP(EA), eV:	-10.07(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-adamantyl)ethyl]-2-chloro-5-nitrobenzamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CCNC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

DOS

IR

Vibrations