Geometry & MOs

Info

ID:	54621
PubChem CID:	17389001
Reduced:	N2O4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	382.121483
ΔH_f, kcal/mol:	-190.81
Dipole, Da:	1.42
IP(EA), eV:	-10.21(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoic acid;dihydrochloride

Drug info:

PubChemData

Smile

COC(=O)C(CC(=O)NN)C1(CCCCC1)O

DOS

IR

Vibrations