Geometry & MOs

Info

ID:	364765
PubChem CID:	127316096
Reduced:	ON7C17H21 (1)
Stoich.:	AB7C17D21 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	54.75
Dipole, Da:	3.17
IP(EA), eV:	-9.07(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(C=N2)C(=O)N3CCN(CC3)CC4=NC=CN4)C

DOS

IR

Vibrations