Geometry & MOs

Info

ID:	441742
PubChem CID:	135243066
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	345.054354
ΔH_f, kcal/mol:	-58.44
Dipole, Da:	4.42
IP(EA), eV:	-8.91(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[2-fluoro-3-methyl-5-(trifluoromethoxy)phenyl]-5-prop-1-en-2-ylpyridine

Drug info:

PubChemData

Smile

C/C=C(\C(=C/N=C)\C(=O)NC[C@H](C)O)/N

DOS

IR

Vibrations