Geometry & MOs

Info

ID:	391817
PubChem CID:	135009826
Reduced:	N2P2O7C19H34 (1)
Stoich.:	A2B2C7D19E34 (1)
Weight, g/mol:	471.26271
ΔH_f, kcal/mol:	-417.79
Dipole, Da:	4.76
IP(EA), eV:	-9.54(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1,3-bis(diethoxyphosphoryl)-4-methylpentyl]-4-methylpiperazin-1-amine

Drug info:

PubChemData

Smile

CCOP(=O)(C(C)CC(NNC(=O)C1=CC=CC=C1)P(=O)(OCC)OCC)OCC

DOS

IR

Vibrations