Geometry & MOs

Info

ID:	13968
PubChem CID:	401108
Reduced:	NO2H7C8 (3)
Stoich.:	AB2C7D8 (3)
Weight, g/mol:	447.143035
ΔH_f, kcal/mol:	-68.31
Dipole, Da:	7.2
IP(EA), eV:	-8.82(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-nitro-4-oxo-6-(3,4,5-trimethoxyphenyl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)NC3=C2CCCC4=C3C=C(C=C4)[N+](=O)[O-])C#N

DOS

IR

Vibrations