Geometry & MOs

Info

ID:	364854
PubChem CID:	127316303
Reduced:	OSN4C19H22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	374.098352
ΔH_f, kcal/mol:	32.08
Dipole, Da:	3.35
IP(EA), eV:	-8.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)CN3C4=CC=CC=C4C=N3

DOS

IR

Vibrations