Geometry & MOs

Info

ID:	89573
PubChem CID:	49962762
Reduced:	NOS2H11C13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	232.092186
ΔH_f, kcal/mol:	23.86
Dipole, Da:	3.05
IP(EA), eV:	-9.04(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanol

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(C2=NC3=CC=CC=C3S2)O

DOS

IR

Vibrations