Geometry & MOs

Info

ID:	387822
PubChem CID:	134987052
Reduced:	ClNOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	264.082016
ΔH_f, kcal/mol:	-39.12
Dipole, Da:	1.58
IP(EA), eV:	-9.31(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethoxy-2-propylsulfanylchromen-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(CC3CCOC3C2)N=C1Cl

DOS

IR

Vibrations