Geometry & MOs

Info

ID:	210140
PubChem CID:	80768061
Reduced:	N4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	74.28
Dipole, Da:	2.51
IP(EA), eV:	-8.67(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(2-methylbutan-2-yl)-5-nitro-1-N-propylbenzene-1,3-diamine

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)NC2=CC=CC=C2C3=CC=CC=C3)N

DOS

IR

Vibrations