Geometry & MOs

Info

ID:	157062
PubChem CID:	56413189
Reduced:	O2N3C25H35 (1)
Stoich.:	A2B3C25D35 (1)
Weight, g/mol:	477.266128
ΔH_f, kcal/mol:	-84.39
Dipole, Da:	4.29
IP(EA), eV:	-8.3(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3=CC4=C(C=C3)NC5=C4CCCC5

DOS

IR

Vibrations