Geometry & MOs

Info

ID:	357602
PubChem CID:	127294275
Reduced:	O2N5C20H35 (1)
Stoich.:	A2B5C20D35 (1)
Weight, g/mol:	384.227374
ΔH_f, kcal/mol:	-60.72
Dipole, Da:	5.53
IP(EA), eV:	-8.75(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)CCC(=O)N2CCN(CC2)CC3CCCCN3C

DOS

IR

Vibrations