Geometry & MOs

Info

ID:	242067
PubChem CID:	96025343
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	285.128427
ΔH_f, kcal/mol:	-21.38
Dipole, Da:	2.18
IP(EA), eV:	-8.59(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(3-chlorophenyl)methyl]-5,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2CCN[C@H](C2=C(C=C1)C)CC3=CC=CC=C3O

DOS

IR

Vibrations