Geometry & MOs

Info

ID:	64859
PubChem CID:	29204105
Reduced:	ON2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	433.239913
ΔH_f, kcal/mol:	-1.55
Dipole, Da:	4.55
IP(EA), eV:	-9.37(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4CC4)C

DOS

IR

Vibrations