Geometry & MOs

Info

ID:	351589
PubChem CID:	127280481
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	398.206639
ΔH_f, kcal/mol:	-68.86
Dipole, Da:	3.38
IP(EA), eV:	-8.95(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-oxo-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CCN3C4=CC=CC=C4C(=O)C=N3

DOS

IR

Vibrations