Geometry & MOs

Info

ID:	350332
PubChem CID:	127277410
Reduced:	SN2O3C11H20 (1)
Stoich.:	AB2C3D11E20 (1)
Weight, g/mol:	245.12766
ΔH_f, kcal/mol:	-121.6
Dipole, Da:	2.26
IP(EA), eV:	-9.59(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-imidazol-5-yl-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CC1NC(=O)CN(C)C2CCS(=O)(=O)C2

DOS

IR

Vibrations