Geometry & MOs

Info

ID:	447568
PubChem CID:	135283901
Reduced:	O2F3N3C14H14 (1)
Stoich.:	A2B3C3D14E14 (1)
Weight, g/mol:	304.067091
ΔH_f, kcal/mol:	-182.88
Dipole, Da:	3.73
IP(EA), eV:	-9.89(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[5-oxo-3-(trifluoromethyl)pentanoyl]pyridin-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(=CC=N1)C2=NC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations