Geometry & MOs

Info

ID:	183646
PubChem CID:	77047242
Reduced:	OF3N3C9H16 (1)
Stoich.:	AB3C3D9E16 (1)
Weight, g/mol:	304.063011
ΔH_f, kcal/mol:	-176.43
Dipole, Da:	4.48
IP(EA), eV:	-8.94(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)thiophen-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C(=NO)N)CCC(F)(F)F

DOS

IR

Vibrations