Geometry & MOs

Info

ID:	240876
PubChem CID:	93617923
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-62.9
Dipole, Da:	4.25
IP(EA), eV:	-9.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethoxy-N-[(3R)-2-oxoazepan-3-yl]-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

C1CCNC(=O)[C@H](C1)NC(=O)CCC2=NC(=NO2)CC3=CC=CC=C3

DOS

IR

Vibrations