Geometry & MOs

Info

ID:	309971
PubChem CID:	126571570
Reduced:	O2N4F5H11C15 (1)
Stoich.:	A2B4C5D11E15 (1)
Weight, g/mol:	314.160598
ΔH_f, kcal/mol:	-195.41
Dipole, Da:	7.08
IP(EA), eV:	-9.69(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S)-azetidin-2-yl]methoxy]-5-hex-1-ynyl-2-(trifluoromethyl)-1,2-dihydropyridine

Drug info:

PubChemData

Smile

C1CN(CC2=C1N(N=C2)C3=C(C=C(C=C3)F)F)C(=O)C(C(F)(F)F)N=O

DOS

IR

Vibrations