Geometry & MOs

Info

ID:	210282
PubChem CID:	80784601
Reduced:	N2C8H11 (2)
Stoich.:	A2B8C11 (2)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	29.58
Dipole, Da:	3.95
IP(EA), eV:	-8.19(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-benzyl-1-N-methyl-2-nitrobenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCNC1=NC2=CC=CC=C2C(=N1)NCC3CCCC3

DOS

IR

Vibrations