Geometry & MOs

Info

ID:	335938
PubChem CID:	127254945
Reduced:	ON4C22H28 (1)
Stoich.:	AB4C22D28 (1)
Weight, g/mol:	283.106925
ΔH_f, kcal/mol:	6.8
Dipole, Da:	3.89
IP(EA), eV:	-8.73(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-oxo-1H-1,2,3-benzotriazin-6-yl)-3-pyrrol-1-ylpropanamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1[C@@H]3CCCN3C(=O)CCCCCN4C=CC=C4

DOS

IR

Vibrations