Geometry & MOs

Info

ID:	172291
PubChem CID:	75490346
Reduced:	ON6C20H20 (1)
Stoich.:	AB6C20D20 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	86.7
Dipole, Da:	9.45
IP(EA), eV:	-8.64(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1-benzofuran-5-yl)-N-[3-(2-methylpropyl)-4-oxo-1,2,3-benzotriazin-6-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=CC=CC=C21)C(=O)NC3=CC=CC(=C3)C4=NN(N=N4)C

DOS

IR

Vibrations