Geometry & MOs

Info

ID:	241109
PubChem CID:	96021219
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-13.41
Dipole, Da:	2.42
IP(EA), eV:	-8.7(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-methyl-1-(3-phenoxypropyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C2[C@H](NCCC2=CC=C1)CCCOC3=CC=CC=C3

DOS

IR

Vibrations