Geometry & MOs

Info

ID:	192629
PubChem CID:	78293784
Reduced:	BrO2N6C20H21 (1)
Stoich.:	AB2C6D20E21 (1)
Weight, g/mol:	246.07529
ΔH_f, kcal/mol:	8.15
Dipole, Da:	7.99
IP(EA), eV:	-9.4(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-3,5-dioxo-1,2,4-triazinane-6-carbonitrile

Drug info:

PubChemData

Smile

CN1C2C(N=C1NCC3=CC=CC=N3)N(C(=O)N(C2=O)CC4=CC(=CC=C4)Br)C

DOS

IR

Vibrations