Geometry & MOs

Info

ID:	77298
PubChem CID:	48426032
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	354.134635
ΔH_f, kcal/mol:	-63.93
Dipole, Da:	3.87
IP(EA), eV:	-9.25(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[2-(diethylamino)-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=C(N(N=C1C)CC2=CC=C(C=C2)C)C

DOS

IR

Vibrations