Geometry & MOs

Info

ID:	210528
PubChem CID:	80819273
Reduced:	N7C11H17 (1)
Stoich.:	A7B11C17 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	56.01
Dipole, Da:	2.32
IP(EA), eV:	-8.93(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(4-imidazol-1-ylbutyl)-2-nitrobenzene-1,3-diamine

Drug info:

PubChemData

Smile

C1=CN(C=N1)CCCCNC2=NC(=NC(=C2)N)N

DOS

IR

Vibrations