Geometry & MOs

Info

ID:	382107
PubChem CID:	134973044
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	307.120843
ΔH_f, kcal/mol:	-2.9
Dipole, Da:	7.51
IP(EA), eV:	-9.08(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R,6R)-2-[(4-nitrophenyl)methoxy]-6-phenylbicyclo[3.1.0]hex-2-ene

Drug info:

PubChemData

Smile

CC(C)[C@]12CC=C([C@H]1C2)OCC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations