Geometry & MOs

Info

ID:	241826
PubChem CID:	96024355
Reduced:	NC19H21 (1)
Stoich.:	AB19C21 (1)
Weight, g/mol:	289.103355
ΔH_f, kcal/mol:	39.91
Dipole, Da:	2.52
IP(EA), eV:	-8.81(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-chloro-5-fluorophenyl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@@H](NCC2)C(=C)C3=CC=CC=C3

DOS

IR

Vibrations