Geometry & MOs

Info

ID:	127907
PubChem CID:	51022617
Reduced:	OH6C8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	9.29
Dipole, Da:	2.82
IP(EA), eV:	-9.21(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-methyl-5-[(1R,2R,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-enoic acid

Drug info:

PubChemData

Smile

CC(=O)[C@@]12C=C[C@H](O1)C3=CC4=CC=CC=C4C=C23

DOS

IR

Vibrations