Geometry & MOs

Info

ID:	22870
PubChem CID:	599315
Reduced:	NO4H13C18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	307.084458
ΔH_f, kcal/mol:	-98.46
Dipole, Da:	7.53
IP(EA), eV:	-9.15(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O

DOS

IR

Vibrations