Geometry & MOs

Info

ID:	245469
PubChem CID:	99445104
Reduced:	FNO3C23H26 (1)
Stoich.:	ABC3D23E26 (1)
Weight, g/mol:	394.094055
ΔH_f, kcal/mol:	-152.44
Dipole, Da:	5.48
IP(EA), eV:	-9.28(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)CC(=O)N(CC4=CC=CO4)C5=CC=CC=C5F

DOS

IR

Vibrations