Geometry & MOs

Info

ID:	208230
PubChem CID:	80506143
Reduced:	ClO2N4C13H19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	266.149124
ΔH_f, kcal/mol:	9.72
Dipole, Da:	2.32
IP(EA), eV:	-8.47(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CN)CC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations