Geometry & MOs

Info

ID:	216309
PubChem CID:	85086025
Reduced:	ON2C16H16 (1)
Stoich.:	AB2C16D16 (1)
Weight, g/mol:	252.172545
ΔH_f, kcal/mol:	6.19
Dipole, Da:	3.39
IP(EA), eV:	-9.51(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2)CN

DOS

IR

Vibrations