Geometry & MOs

Info

ID:	18454
PubChem CID:	541184
Reduced:	N4O4H12C17 (1)
Stoich.:	A4B4C12D17 (1)
Weight, g/mol:	336.085855
ΔH_f, kcal/mol:	32.64
Dipole, Da:	6.99
IP(EA), eV:	-9.82(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-1-(4-nitrophenyl)-5-phenyl-1,2,4-triazin-6-one

Drug info:

PubChemData

Smile

CC(=O)C1=NN(C(=O)C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations