Geometry & MOs

Info

ID:	375161
PubChem CID:	131472731
Reduced:	ON2F3C9H13 (1)
Stoich.:	AB2C3D9E13 (1)
Weight, g/mol:	222.07529
ΔH_f, kcal/mol:	-192.39
Dipole, Da:	5.5
IP(EA), eV:	-9.7(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(3-oxopyrrolidin-1-yl)-1,2,4-triazine-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC(F)(F)F)(CC#N)O

DOS

IR

Vibrations