Geometry & MOs

Info

ID:	191895
PubChem CID:	78198826
Reduced:	N7C14H15 (1)
Stoich.:	A7B14C15 (1)
Weight, g/mol:	306.111676
ΔH_f, kcal/mol:	177.97
Dipole, Da:	1.4
IP(EA), eV:	-8.25(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazinane-6-carbonitrile

Drug info:

PubChemData

Smile

C1C2=C(N3C=CC=C3C4N2NNN4)N(N1)C5=CC=CC=C5

DOS

IR

Vibrations