Geometry & MOs

Info

ID:	361576
PubChem CID:	127303842
Reduced:	FON5C21H26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	343.146681
ΔH_f, kcal/mol:	-5.63
Dipole, Da:	5.02
IP(EA), eV:	-8.51(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropyl-1,3-thiazol-4-yl)-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCCC(C3)C4=NN=CN4C5CC5)F

DOS

IR

Vibrations