Geometry & MOs

Info

ID:	196061
PubChem CID:	78775452
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	347.126991
ΔH_f, kcal/mol:	-129.39
Dipole, Da:	4.26
IP(EA), eV:	-8.64(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-quinoxalin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CCOC2=CC=CC=C2OC

DOS

IR

Vibrations