Geometry & MOs

Info

ID:	68214
PubChem CID:	46507979
Reduced:	IN2F3O3H10C17 (1)
Stoich.:	AB2C3D3E10F17 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	-143.46
Dipole, Da:	1.71
IP(EA), eV:	-9.81(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-aminopyrazin-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)OCC2=NC(=NO2)C3=CC(=CC=C3)C(F)(F)F)I

DOS

IR

Vibrations