Geometry & MOs

Info

ID:	48027
PubChem CID:	10536691
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-77.06
Dipole, Da:	4.74
IP(EA), eV:	-8.92(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4,6-dimethyl-2,3-dihydro-1H-inden-5-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C2C[C@@H](CC(=O)C2=C(C=C1)O)C(=C)C

DOS

IR

Vibrations