Geometry & MOs

Info

ID:	312847
PubChem CID:	126609204
Reduced:	ClO2N8C24H34 (1)
Stoich.:	AB2C8D24E34 (1)
Weight, g/mol:	218.1548
ΔH_f, kcal/mol:	-29.43
Dipole, Da:	5.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.818209
Charge, e:	0

Chem-info

IUPAC name:

1-(dimethylphosphorylmethyl)-4-propan-2-ylpiperazine

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2)C(=O)N(CCN)CC(C)C)[N+](=C1CNC(=O)C3=NC(=CN=C3N)Cl)CC

DOS

IR

Vibrations