Geometry & MOs

Info

ID:	363346
PubChem CID:	127310875
Reduced:	OSN6C18H22 (1)
Stoich.:	ABC6D18E22 (1)
Weight, g/mol:	343.121529
ΔH_f, kcal/mol:	52.69
Dipole, Da:	3.59
IP(EA), eV:	-8.85(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)C3=CN=C(S3)C4=CN(N=C4)C

DOS

IR

Vibrations