Geometry & MOs

Info

ID:	403210
PubChem CID:	135059189
Reduced:	ClOH10C14 (1)
Stoich.:	ABC10D14 (1)
Weight, g/mol:	246.044757
ΔH_f, kcal/mol:	18.17
Dipole, Da:	2.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.516517
Charge, e:	0

Chem-info

IUPAC name:

chloro-(3-methylbenzo[g][1]benzofuran-2-yl)methanol

Drug info:

PubChemData

Smile

CC\1=C2C=CC3=CC=CC=C3C2=[O+]/C1=C\Cl

DOS

IR

Vibrations