Geometry & MOs

Info

ID:	197800
PubChem CID:	78998566
Reduced:	OC13H20 (1)
Stoich.:	AB13C20 (1)
Weight, g/mol:	285.124405
ΔH_f, kcal/mol:	-50.85
Dipole, Da:	1.73
IP(EA), eV:	-9.44(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2-nitrophenyl)methyl]-N',N'-dimethylbutane-1,4-diamine

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC=CC=C1)[C@@H](C)O

DOS

IR

Vibrations