Geometry & MOs

Info

ID:	372557
PubChem CID:	131299667
Reduced:	NOSC12H13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	219.071785
ΔH_f, kcal/mol:	4.54
Dipole, Da:	2.48
IP(EA), eV:	-8.57(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-6,7-dimethyl-2,3-dihydrothiochromene-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OC2=C(SC=C2)N

DOS

IR

Vibrations