Geometry & MOs

Info

ID:	241955
PubChem CID:	96024786
Reduced:	SN2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	285.128427
ΔH_f, kcal/mol:	44.48
Dipole, Da:	5.58
IP(EA), eV:	-8.21(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(2-chlorophenyl)methyl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=CC=CNC3=S)C=C1)C

DOS

IR

Vibrations