Geometry & MOs

Info

ID:	364670
PubChem CID:	127315965
Reduced:	ON3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-25.3
Dipole, Da:	4.14
IP(EA), eV:	-9.29(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamoyl-3-piperidin-1-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2(CCCC2)CNC(=O)C3(CCCC3)C#N

DOS

IR

Vibrations