Geometry & MOs

Info

ID:	405124
PubChem CID:	135072649
Reduced:	ON3H11C15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	286.021914
ΔH_f, kcal/mol:	110.7
Dipole, Da:	4.99
IP(EA), eV:	-9.41(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methyl]chromene-4-thione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C(\C2=CC=CC=C2)/N=[N+]=[N-])/C=O

DOS

IR

Vibrations