Geometry & MOs

Info

ID:	131743
PubChem CID:	51257390
Reduced:	NO5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	342.07712
ΔH_f, kcal/mol:	-171.65
Dipole, Da:	8.29
IP(EA), eV:	-9.04(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[4-(methylcarbamoyl)phenyl]-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations