Geometry & MOs

Info

ID:	241886
PubChem CID:	96024499
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	285.128427
ΔH_f, kcal/mol:	-50.22
Dipole, Da:	0.83
IP(EA), eV:	-8.62(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[3-(chloromethyl)phenyl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)[C@@H]3CCCO3

DOS

IR

Vibrations