Geometry & MOs

Info

ID:	315880
PubChem CID:	126629243
Reduced:	O2N3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	426.138897
ΔH_f, kcal/mol:	-2.26
Dipole, Da:	4.16
IP(EA), eV:	-8.59(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfanyl)phenyl]-1-(4-methylphenyl)-1-morpholin-4-ylmethanimine

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CN2C=CC=C3C2=NC(O3)O

DOS

IR

Vibrations