Geometry & MOs

Info

ID:	27901
PubChem CID:	824082
Reduced:	N2O5H14C17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-68.44
Dipole, Da:	3.74
IP(EA), eV:	-9.32(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

DOS

IR

Vibrations