Geometry & MOs

Info

ID:	337032
PubChem CID:	127256597
Reduced:	NO4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	268.073559
ΔH_f, kcal/mol:	-125.95
Dipole, Da:	2.6
IP(EA), eV:	-8.24(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxoethyl 2H-benzo[h]chromene-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)CC(=O)OC(=O)CCN1C=C2C=CC=CC2=C1

DOS

IR

Vibrations