Geometry & MOs

Info

ID:	19450
PubChem CID:	564189
Reduced:	O4N6H14C15 (1)
Stoich.:	A4B6C14D15 (1)
Weight, g/mol:	342.107653
ΔH_f, kcal/mol:	94.83
Dipole, Da:	4.01
IP(EA), eV:	-9.78(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-2-(4-nitrophenyl)-4-(pyridin-3-ylmethyl)-3,5-dihydro-1,2,4-triazine

Drug info:

PubChemData

Smile

C1C(=NN(CN1CC2=CN=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations