Geometry & MOs

Info

ID:	77183
PubChem CID:	48425896
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	348.168522
ΔH_f, kcal/mol:	-101.37
Dipole, Da:	6.94
IP(EA), eV:	-8.83(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)/C=C/C1=CC(=C(C=C1)OCC#N)OC

DOS

IR

Vibrations