Geometry & MOs

Info

ID:	241760
PubChem CID:	96024177
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-51.82
Dipole, Da:	3.74
IP(EA), eV:	-8.71(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-(4-hydroxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@@H]2C(=O)CC3=CC=C(C=C3)O)C=C1)C

DOS

IR

Vibrations