Geometry & MOs

Info

ID:

392450

PubChem CID:

135016426

Reduced:

OC8H9 (1)

Stoich.:

AB8C9 (1)

Weight, g/mol:

223.099714

ΔHf, kcal/mol:

14.85

Dipole, Da:

1.6

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.992896

Charge, e:

0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-4-methylphenol

Drug info:

PubChemData

Smile

C1=C[C-](C=C1)/C=C/CO

DOS

IR

Vibrations