Geometry & MOs

Info

ID:	364743
PubChem CID:	127316049
Reduced:	ON7C17H23 (1)
Stoich.:	AB7C17D23 (1)
Weight, g/mol:	346.157581
ΔH_f, kcal/mol:	41.86
Dipole, Da:	8.73
IP(EA), eV:	-8.84(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations