Geometry & MOs

Info

ID:	407706
PubChem CID:	135080461
Reduced:	IO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	235.030314
ΔH_f, kcal/mol:	-42.09
Dipole, Da:	0.79
IP(EA), eV:	-9.56(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-nitrophenyl)-thiophen-2-ylmethanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)OCC/C=C/I

DOS

IR

Vibrations