Geometry & MOs

Info

ID:	399034
PubChem CID:	135037170
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	245.154155
ΔH_f, kcal/mol:	-149.06
Dipole, Da:	1.04
IP(EA), eV:	-9.78(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzylidene-[(2-hydroxy-1,6-dimethylcyclohex-2-en-1-yl)methyl]oxidanium

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)N(C1=O)C2=CC=CC=C2C(=O)OC

DOS

IR

Vibrations