Geometry & MOs

Info

ID:	160069
PubChem CID:	57304595
Reduced:	O2C19H20 (1)
Stoich.:	A2B19C20 (1)
Weight, g/mol:	332.167083
ΔH_f, kcal/mol:	-49.89
Dipole, Da:	3.25
IP(EA), eV:	-9.18(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-6-[5-(5-imidazol-1-ylpentyl)thiophen-2-yl]piperidin-3-one

Drug info:

PubChemData

Smile

CCC1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations