Geometry & MOs

Info

ID:	20618
PubChem CID:	584856
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-94.38
Dipole, Da:	3.63
IP(EA), eV:	-8.82(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxy-2-nitrophenyl)adamantane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

DOS

IR

Vibrations