Geometry & MOs

Info

ID:	25035
PubChem CID:	617478
Reduced:	NO5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	305.126323
ΔH_f, kcal/mol:	-68.47
Dipole, Da:	5.19
IP(EA), eV:	-8.62(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-6-(3,4,5-trimethoxyphenyl)bicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2C3CC(C2[N+](=O)[O-])C=C3

DOS

IR

Vibrations