Geometry & MOs

Info

ID:	166168
PubChem CID:	74644230
Reduced:	NO2C21H27 (1)
Stoich.:	AB2C21D27 (1)
Weight, g/mol:	304.117155
ΔH_f, kcal/mol:	-30.83
Dipole, Da:	2.04
IP(EA), eV:	-8.1(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)butanamide

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)NCC=CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations