Geometry & MOs

Info

ID:	242048
PubChem CID:	96025231
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-45.26
Dipole, Da:	2.27
IP(EA), eV:	-8.59(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[(1S)-7,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)[C@H](NCC2)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations