Geometry & MOs

Info

ID:	241159
PubChem CID:	96021576
Reduced:	ClNC17H18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	291.123484
ΔH_f, kcal/mol:	19.76
Dipole, Da:	1.35
IP(EA), eV:	-8.95(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-methyl-1-[(2,4,6-trifluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)Cl)[C@@H]2C3=C(C=CC=C3CCN2)C

DOS

IR

Vibrations