Geometry & MOs

Info

ID:	242008
PubChem CID:	96025055
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	295.193614
ΔH_f, kcal/mol:	6.52
Dipole, Da:	2.65
IP(EA), eV:	-8.79(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(2-ethylphenoxy)methyl]-7,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)/C=C/C3=CC=CO3

DOS

IR

Vibrations