Geometry & MOs

Info

ID:	241170
PubChem CID:	96021660
Reduced:	ClNC17H18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	289.103355
ΔH_f, kcal/mol:	19.6
Dipole, Da:	0.72
IP(EA), eV:	-8.93(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(4-chloro-2-fluorophenyl)methyl]-8-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations