Geometry & MOs

Info

ID:	210123
PubChem CID:	80766439
Reduced:	N6C11H20 (1)
Stoich.:	A6B11C20 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	23.53
Dipole, Da:	1.18
IP(EA), eV:	-8.82(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-butan-2-yl-2-nitro-1-N-propylbenzene-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)NC1=NC(=NC(=N1)NC)N2CCCC2

DOS

IR

Vibrations