Geometry & MOs

Info

ID:	241108
PubChem CID:	96021193
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	7.87
Dipole, Da:	1.56
IP(EA), eV:	-8.6(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-methyl-1-(3-phenoxypropyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2[C@H](NCCC2=CC=C1)/C=C/C3=CC=C(C=C3)OC

DOS

IR

Vibrations