Geometry & MOs

Info

ID:	62830
PubChem CID:	26737057
Reduced:	ClNO2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	-54.7
Dipole, Da:	1.11
IP(EA), eV:	-8.94(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethylphenyl)-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)[C@@H]2CC3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations