Geometry & MOs

Info

ID:	313904
PubChem CID:	126618848
Reduced:	N3O3F4H13C15 (1)
Stoich.:	A3B3C4D13E15 (1)
Weight, g/mol:	341.078739
ΔH_f, kcal/mol:	-250.98
Dipole, Da:	11.21
IP(EA), eV:	-8.67(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-fluoro-4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C1CNCC2=C1N/C(=C\3/C=CC(=O)C=C3F)/N=C2.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations