Geometry & MOs

Info

ID:

14433

PubChem CID:

411301

Reduced:

NOH16C17 (1)

Stoich.:

ABC16D17 (1)

Weight, g/mol:

250.123189

ΔHf, kcal/mol:

23.97

Dipole, Da:

1.7

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.142447

Charge, e:

 1

Chem-info

IUPAC name:

2-isoquinolin-2-ium-2-yl-1-phenylethanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C[N+]2=CC3=CC=CC=C3C=C2)O

DOS

IR

Vibrations