Geometry & MOs

Info

ID:	24024
PubChem CID:	607469
Reduced:	N4O4C9H12 (1)
Stoich.:	A4B4C9D12 (1)
Weight, g/mol:	240.085855
ΔH_f, kcal/mol:	-2.34
Dipole, Da:	7.52
IP(EA), eV:	-10.15(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3,5-dinitropyridin-2-amine

Drug info:

PubChemData

Smile

CCCCNC1=C(C=C(C=N1)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations