Geometry & MOs

Info

ID:	32111
PubChem CID:	4266095
Reduced:	NO2C22H31 (1)
Stoich.:	AB2C22D31 (1)
Weight, g/mol:	449.149764
ΔH_f, kcal/mol:	-107.54
Dipole, Da:	5.54
IP(EA), eV:	-9.98(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-6-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC(=CC4)C#N)C)C

DOS

IR

Vibrations