Geometry & MOs

Info

ID:	221136
PubChem CID:	85256962
Reduced:	NSO4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	288.195011
ΔH_f, kcal/mol:	-101.29
Dipole, Da:	2.85
IP(EA), eV:	-8.76(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methylpiperazin-1-yl)methyl]-6-phenyldiazinan-3-one

Drug info:

PubChemData

Smile

COC12C=CC(CC1C#N)C(C2=O)(CSOC)OC

DOS

IR

Vibrations