Geometry & MOs

Info

ID:	241110
PubChem CID:	96021221
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	295.193614
ΔH_f, kcal/mol:	-15.66
Dipole, Da:	2.96
IP(EA), eV:	-8.75(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-methyl-1-[3-(4-methylphenoxy)propyl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@@H](NCC2)CCCOC3=CC=CC=C3

DOS

IR

Vibrations