Geometry & MOs

Info

ID:	388656
PubChem CID:	134989767
Reduced:	NSO2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	158.073165
ΔH_f, kcal/mol:	-13.94
Dipole, Da:	4.95
IP(EA), eV:	-9.0(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-ethylidenechromene

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=CC=CC=C12)C3=NC=CS3

DOS

IR

Vibrations