Geometry & MOs

Info

ID:	215962
PubChem CID:	85085510
Reduced:	OC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-51.39
Dipole, Da:	1.87
IP(EA), eV:	-9.56(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-2,4-dihydro-1H-isoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2C(CC3C=CCCC3C2O)C=C1

DOS

IR

Vibrations