Geometry & MOs

Info

ID:	197255
PubChem CID:	78943161
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	299.140055
ΔH_f, kcal/mol:	-24.6
Dipole, Da:	6.76
IP(EA), eV:	-8.85(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(4-chloro-3-nitrophenyl)methyl]-1-N,1-N-diethylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNCC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations