Geometry & MOs

Info

ID:	225584
PubChem CID:	85856267
Reduced:	ClNOSH10C11 (1)
Stoich.:	ABCDE10F11 (1)
Weight, g/mol:	262.09938
ΔH_f, kcal/mol:	-13.4
Dipole, Da:	1.82
IP(EA), eV:	-9.75(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-(2-phenylethenyl)chromen-4-one

Drug info:

PubChemData

Smile

CC1(C(=O)SC(=N1)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations