Geometry & MOs

Info

ID:	382851
PubChem CID:	134974240
Reduced:	ON2C23H28 (1)
Stoich.:	AB2C23D28 (1)
Weight, g/mol:	155.058243
ΔH_f, kcal/mol:	32.9
Dipole, Da:	1.34
IP(EA), eV:	-8.31(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,6R)-1-methyl-6-nitrobicyclo[3.1.0]hexan-2-one

Drug info:

PubChemData

Smile

COC[C@H]1CCCN1/N=C/C2=C3CCC4=CC=C(CCC(=C2)C=C3)C=C4

DOS

IR

Vibrations