Geometry & MOs

Info

ID:	163538
PubChem CID:	58033993
Reduced:	NO4C12H15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	466.202321
ΔH_f, kcal/mol:	-119.96
Dipole, Da:	3.31
IP(EA), eV:	-10.76(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[4-[2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]acetyl]cyclohexyl]oxybenzonitrile

Drug info:

PubChemData

Smile

C1CC(CCC1CC(=O)C2=NOC=C2)C(=O)O

DOS

IR

Vibrations