Geometry & MOs

Info

ID:	9075
PubChem CID:	85831
Reduced:	O2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	-98.66
Dipole, Da:	2.89
IP(EA), eV:	-9.34(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC(=O)OC

DOS

IR

Vibrations