Geometry & MOs

Info

ID:	385601
PubChem CID:	134979523
Reduced:	O2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	183.089543
ΔH_f, kcal/mol:	-102.01
Dipole, Da:	5.39
IP(EA), eV:	-9.66(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R,5S,7R)-7-(methoxymethyl)-5-nitrobicyclo[2.2.1]hept-2-ene

Drug info:

PubChemData

Smile

CCC1=CC[C@H]2[C@@H](C1)[C@@H](OC2=O)C

DOS

IR

Vibrations