Geometry & MOs

Info

ID:	364815
PubChem CID:	127316223
Reduced:	SO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	305.185175
ΔH_f, kcal/mol:	-16.92
Dipole, Da:	2.14
IP(EA), eV:	-8.77(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one

Drug info:

PubChemData

Smile

C1CC2(N(C1=O)C3=CC=CC=C3S2)C(=O)N4CCN(CC4)CC5=NC=CN5

DOS

IR

Vibrations