Geometry & MOs

Info

ID:	340875
PubChem CID:	127263310
Reduced:	ClN2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	232.074533
ΔH_f, kcal/mol:	-18.19
Dipole, Da:	4.33
IP(EA), eV:	-9.37(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)acetaldehyde;hydrate;dihydrochloride

Drug info:

PubChemData

Smile

CCC1=C(N=CC=C1)N.Cl

DOS

IR

Vibrations