Geometry & MOs

Info

ID:	241857
PubChem CID:	96024404
Reduced:	FNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	285.128427
ΔH_f, kcal/mol:	-30.55
Dipole, Da:	3.33
IP(EA), eV:	-8.85(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4-chloro-3-methylphenyl)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations