Geometry & MOs

Info

ID:	421627
PubChem CID:	135116317
Reduced:	N2F3O3C15H19 (1)
Stoich.:	A2B3C3D15E19 (1)
Weight, g/mol:	344.148455
ΔH_f, kcal/mol:	-278.76
Dipole, Da:	6.15
IP(EA), eV:	-9.28(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C2=CC=CC(=N2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations