Geometry & MOs

Info

ID:	322349
PubChem CID:	126669883
Reduced:	ClON6C19H27 (1)
Stoich.:	ABC6D19E27 (1)
Weight, g/mol:	337.155705
ΔH_f, kcal/mol:	16.82
Dipole, Da:	3.2
IP(EA), eV:	-8.43(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(C(CO1)CC2=CC=C(C=C2)Cl)C3CCN(CC3)C4=NNC(=N4)N

DOS

IR

Vibrations