Geometry & MOs

Info

ID:	176324
PubChem CID:	76034483
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	308.084017
ΔH_f, kcal/mol:	-146.75
Dipole, Da:	7.64
IP(EA), eV:	-8.41(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-chloro-6-fluorophenyl)methylidene]-3-methyl-2-methylidene-3,4,4a,5-tetrahydro-1H-imidazo[1,2-b][1,2,4]triazin-6-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C(=O)N2)C(CC3=CNC4=CC=CC=C43)C(=O)O

DOS

IR

Vibrations