Geometry & MOs

Info

ID:	303523
PubChem CID:	124489856
Reduced:	O2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-82.46
Dipole, Da:	1.89
IP(EA), eV:	-9.11(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1R)-6,6-dimethylcyclohexa-2,4-dien-1-yl]acetate

Drug info:

PubChemData

Smile

CC1(C=CC=C[C@@H]1CC(=O)OC)C

DOS

IR

Vibrations