Geometry & MOs

Info

ID:	355603
PubChem CID:	127289361
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	331.146681
ΔH_f, kcal/mol:	-38.64
Dipole, Da:	6.71
IP(EA), eV:	-8.78(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropyl-1,3-thiazol-4-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)C3(CCCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations