Geometry & MOs

Info

ID:	306694
PubChem CID:	125165349
Reduced:	ON2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-36.03
Dipole, Da:	5.7
IP(EA), eV:	-9.57(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzylpiperidin-4-yl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)[C@H](C2CC2)NC(=O)CCN3C(=C(C(=N3)C)C(=O)C)C

DOS

IR

Vibrations