Geometry & MOs

Info

ID:	449382
PubChem CID:	135298172
Reduced:	FCl2O3N5C31H32 (1)
Stoich.:	AB2C3D5E31F32 (1)
Weight, g/mol:	224.132491
ΔH_f, kcal/mol:	-68.82
Dipole, Da:	2.26
IP(EA), eV:	-8.12(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-5-methyl-2-(morpholin-4-ylmethyl)aniline

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=NC=C1Cl)Cl)OC2=CC3=C(C=C2)N(N=C3/C=C(/C4=CN=C(C=C4)NC5CCOCC5)\F)C6CCCCO6

DOS

IR

Vibrations