Geometry & MOs

Info

ID:	242068
PubChem CID:	96025347
Reduced:	ClNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	265.18305
ΔH_f, kcal/mol:	12.12
Dipole, Da:	1.4
IP(EA), eV:	-8.85(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-5,8-dimethyl-1-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2CCN[C@H](C2=C(C=C1)C)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations