Geometry & MOs

Info

ID:	208217
PubChem CID:	80504534
Reduced:	ClO2N3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	225.184112
ΔH_f, kcal/mol:	-65.15
Dipole, Da:	4.04
IP(EA), eV:	-8.67(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(aminomethyl)-4-methylpiperazin-1-yl]-cyclopentylmethanone

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CN)C(=O)C2=CC(=C(C=C2)O)Cl

DOS

IR

Vibrations