Geometry & MOs

Info

ID:	435246
PubChem CID:	135186002
Reduced:	ClON5C16H20 (1)
Stoich.:	ABC5D16E20 (1)
Weight, g/mol:	551.223408
ΔH_f, kcal/mol:	-7.31
Dipole, Da:	5.66
IP(EA), eV:	-9.29(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=NC(=C2)CN)C(=O)C3=CC=CC=C3.Cl

DOS

IR

Vibrations