Geometry & MOs

Info

ID:	353136
PubChem CID:	127284316
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	318.241962
ΔH_f, kcal/mol:	-77.94
Dipole, Da:	3.38
IP(EA), eV:	-8.18(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-methyl-2-piperidin-1-ylbutan-1-one

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)NC3=C(C=C(C=C3)N4CCSCC4)C

DOS

IR

Vibrations