Geometry & MOs

Info

ID:	360657
PubChem CID:	127301302
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	22.03
Dipole, Da:	5.48
IP(EA), eV:	-9.33(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-imidazol-1-ylpiperidin-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CN2CCC(CC2)N3C=CN=C3

DOS

IR

Vibrations