Geometry & MOs

Info

ID:	145017
PubChem CID:	53448534
Reduced:	ON2C19H22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	254.154489
ΔH_f, kcal/mol:	43.57
Dipole, Da:	1.82
IP(EA), eV:	-8.77(0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-phenyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanol

Drug info:

PubChemData

Smile

CC1C(N(C(C=C1NO)C2=CC=CC=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations