Geometry & MOs

Info

ID:	37972
PubChem CID:	8026141
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	394.116486
ΔH_f, kcal/mol:	-112.8
Dipole, Da:	9.33
IP(EA), eV:	-8.66(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations