Geometry & MOs

Info

ID:	13544
PubChem CID:	243795
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-4.25
Dipole, Da:	5.06
IP(EA), eV:	-8.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-diethyl-N-(2-nitrophenyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

CCN(CC)CCCNC1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations