Geometry & MOs

Info

ID:	241853
PubChem CID:	96024400
Reduced:	ClNC18H20 (1)
Stoich.:	ABC18D20 (1)
Weight, g/mol:	269.157978
ΔH_f, kcal/mol:	6.28
Dipole, Da:	3.46
IP(EA), eV:	-8.86(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(3-fluoro-2-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)Cl)C

DOS

IR

Vibrations