Geometry & MOs

Info

ID:	127016
PubChem CID:	50987319
Reduced:	ON2H18C19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	200.200097
ΔH_f, kcal/mol:	77.76
Dipole, Da:	6.49
IP(EA), eV:	-8.44(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-N-[2-[(2S)-2-methylpiperazin-1-yl]ethyl]propane-1,2-diamine

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/[N+](=C\C2=CC=CC3=CC=CC=C32)/[O-]

DOS

IR

Vibrations