Geometry & MOs

Info

ID:	355520
PubChem CID:	127288583
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	332.23246
ΔH_f, kcal/mol:	-10.6
Dipole, Da:	2.24
IP(EA), eV:	-8.71(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2CC2)N3CCN(CC3)CC4CCOC4

DOS

IR

Vibrations