Geometry & MOs

Info

ID:	405295
PubChem CID:	135073352
Reduced:	IO2C10H17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	320.077262
ΔH_f, kcal/mol:	-89.7
Dipole, Da:	2.78
IP(EA), eV:	-9.38(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[2-[2-(4-methoxyphenyl)ethynyl]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=CCOC1[C@@H](CCCO1)I)C

DOS

IR

Vibrations