Geometry & MOs

Info

ID:	241849
PubChem CID:	96024396
Reduced:	NC16H23 (1)
Stoich.:	AB16C23 (1)
Weight, g/mol:	285.128427
ΔH_f, kcal/mol:	-16.13
Dipole, Da:	1.97
IP(EA), eV:	-8.7(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)C3CCCC3

DOS

IR

Vibrations