Geometry & MOs

Info

ID:	140904
PubChem CID:	52781237
Reduced:	ClN2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	475.166269
ΔH_f, kcal/mol:	-117.77
Dipole, Da:	2.07
IP(EA), eV:	-9.04(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-cyanophenyl)methoxy]benzamide

Drug info:

PubChemData

Smile

C1COC[C@H]1C(=O)NC[C@H](C2=CC=C(C=C2)Cl)N3CCOCC3

DOS

IR

Vibrations