Geometry & MOs

Info

ID:	245368
PubChem CID:	99443924
Reduced:	FON2C22H25 (1)
Stoich.:	ABC2D22E25 (1)
Weight, g/mol:	416.091468
ΔH_f, kcal/mol:	-14.51
Dipole, Da:	4.71
IP(EA), eV:	-8.24(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1F)N(C2CC2)C(=O)/C=C/C3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations