Geometry & MOs

Info

ID:	13212
PubChem CID:	223388
Reduced:	OC6H6 (2)
Stoich.:	AB6C6 (2)
Weight, g/mol:	188.08373
ΔH_f, kcal/mol:	-65.94
Dipole, Da:	5.34
IP(EA), eV:	-9.33(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3,4-dihydronaphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(CCC2=CC=CC=C12)C(=O)O

DOS

IR

Vibrations