Geometry & MOs

Info

ID:	385962
PubChem CID:	134980406
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	230.13068
ΔH_f, kcal/mol:	2.34
Dipole, Da:	4.3
IP(EA), eV:	-9.51(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (1S,6S)-6-methylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C1[C@H]2C=C[C@@H]([C@H]1[N+](=O)[O-])[C@@H]2COCC3=CC=CC=C3

DOS

IR

Vibrations