Geometry & MOs

Info

ID:	364732
PubChem CID:	127316038
Reduced:	ON8C18H24 (1)
Stoich.:	AB8C18D24 (1)
Weight, g/mol:	374.152495
ΔH_f, kcal/mol:	55.49
Dipole, Da:	5.69
IP(EA), eV:	-9.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC=NN12)C)CCC(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations