Geometry & MOs

Info

ID:	217674
PubChem CID:	85088197
Reduced:	NO3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	-234.0
Dipole, Da:	1.85
IP(EA), eV:	-8.64(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(4-nitrophenyl)-5-azatricyclo[8.4.1.02,7]pentadec-3-ene-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2N1)C=C(C(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations