Geometry & MOs

Info

ID:	242013
PubChem CID:	96025084
Reduced:	NOC19H23 (1)
Stoich.:	ABC19D23 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-14.1
Dipole, Da:	0.28
IP(EA), eV:	-8.83(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-7,8-dimethyl-1-(2-phenoxyethyl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2CCOC3=CC=CC=C3)C=C1)C

DOS

IR

Vibrations