Geometry & MOs

Info

ID:	65989
PubChem CID:	46484885
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	337.131408
ΔH_f, kcal/mol:	-89.52
Dipole, Da:	6.95
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-6-ethoxy-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)CCCOC2=C(C=C(C=C2)C#N)OC

DOS

IR

Vibrations