Geometry & MOs

Info

ID:	137227
PubChem CID:	52172904
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	339.174691
ΔH_f, kcal/mol:	-101.82
Dipole, Da:	5.38
IP(EA), eV:	-8.87(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-[[(2R)-2-(3-methylphenyl)-2-morpholin-4-ylethyl]amino]benzonitrile

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)[C@@H](C)NC2=NC=C(C=C2)C(=O)OCC

DOS

IR

Vibrations