Geometry & MOs

Info

ID:	241169
PubChem CID:	96021658
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	271.112777
ΔH_f, kcal/mol:	-14.59
Dipole, Da:	2.57
IP(EA), eV:	-8.48(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@H](NCC2)C3=C(C=CC(=C3)OC)C

DOS

IR

Vibrations