Geometry & MOs

Info

ID:	397813
PubChem CID:	135030775
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	276.101111
ΔH_f, kcal/mol:	3.41
Dipole, Da:	4.91
IP(EA), eV:	-8.79(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-oxo-4-phenyl-2,5-dihydro-1,2,4-triazin-6-yl)benzonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NNC(=O)N(C2)C3=CC=CC=C3

DOS

IR

Vibrations