Geometry & MOs

Info

ID:	399791
PubChem CID:	135042740
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	227.026855
ΔH_f, kcal/mol:	-130.57
Dipole, Da:	7.45
IP(EA), eV:	-9.3(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-5,6-dichloro-1,3-dimethyl-3,4-dihydroisoquinoline

Drug info:

PubChemData

Smile

CC(=CC(=O)NC1=CC=CC=C1C=O)OC(=O)C

DOS

IR

Vibrations