Geometry & MOs

Info

ID:	55981
PubChem CID:	17398131
Reduced:	OSN4C19H22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	22.35
Dipole, Da:	9.99
IP(EA), eV:	-8.87(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C=CN=C2SCC(=O)NC3(CCCCC3)C#N

DOS

IR

Vibrations