Geometry & MOs

Info

ID:	370611
PubChem CID:	127339761
Reduced:	OSN5C19H29 (1)
Stoich.:	ABC5D19E29 (1)
Weight, g/mol:	357.137179
ΔH_f, kcal/mol:	-6.21
Dipole, Da:	3.77
IP(EA), eV:	-8.44(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CSC3=NC=CN3C(C)(C)C

DOS

IR

Vibrations