Geometry & MOs

Info

ID:	135749
PubChem CID:	51927346
Reduced:	ClN2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	329.153955
ΔH_f, kcal/mol:	-70.81
Dipole, Da:	2.12
IP(EA), eV:	-9.23(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-[[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]benzonitrile

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@H]1CCC2=CC=CC=C12)NC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations