Geometry & MOs

Info

ID:	355551
PubChem CID:	127289309
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	319.146681
ΔH_f, kcal/mol:	44.43
Dipole, Da:	5.25
IP(EA), eV:	-8.99(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3=CC4=C(C=C3)N=CC=C4

DOS

IR

Vibrations