Geometry & MOs

Info

ID:	208229
PubChem CID:	80506142
Reduced:	O2N3C11H25 (1)
Stoich.:	A2B3C11D25 (1)
Weight, g/mol:	298.119654
ΔH_f, kcal/mol:	-96.76
Dipole, Da:	1.83
IP(EA), eV:	-8.39(1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-chloro-2-nitrophenyl)methyl]-4-methylpiperazin-2-yl]methanamine

Drug info:

PubChemData

Smile

CCOCC(CN1CCN(CC1CN)C)O

DOS

IR

Vibrations