Geometry & MOs

Info

ID:	338500
PubChem CID:	127259192
Reduced:	N3O5C10H11 (1)
Stoich.:	A3B5C10D11 (1)
Weight, g/mol:	282.029501
ΔH_f, kcal/mol:	-104.16
Dipole, Da:	2.19
IP(EA), eV:	-9.69(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-chloro-2-oxochromen-4-yl)oxyethyl acetate

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)[N+](=O)[O-])NC(C=O)OC(=O)C

DOS

IR

Vibrations