Geometry & MOs

Info

ID:	205703
PubChem CID:	80137325
Reduced:	N3F4H9C12 (1)
Stoich.:	A3B4C9D12 (1)
Weight, g/mol:	260.054555
ΔH_f, kcal/mol:	-118.76
Dipole, Da:	4.46
IP(EA), eV:	-9.18(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-6-(3-nitrophenyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)C2=CC(=C(C(=C2)F)F)F)F

DOS

IR

Vibrations