Geometry & MOs

Info

ID:	303522
PubChem CID:	124489855
Reduced:	F7C9H11 (1)
Stoich.:	A7B9C11 (1)
Weight, g/mol:	180.11503
ΔH_f, kcal/mol:	-369.21
Dipole, Da:	3.83
IP(EA), eV:	-10.86(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC/C=C\C(C(C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations