Geometry & MOs

Info

ID:	381582
PubChem CID:	134972363
Reduced:	OC6H8 (3)
Stoich.:	AB6C8 (3)
Weight, g/mol:	303.110673
ΔH_f, kcal/mol:	-132.56
Dipole, Da:	2.16
IP(EA), eV:	-9.55(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,5S)-5-methyl-3-[(4-nitrophenyl)methoxy]bicyclo[3.1.0]hex-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

CCC[C@@H]1[C@H]2[C@H]3C(O1)C[C@](O3)(C4=CC=CC=C24)OC(C)C

DOS

IR

Vibrations