Geometry & MOs

Info

ID:	361643
PubChem CID:	127303975
Reduced:	ON4C24H32 (1)
Stoich.:	AB4C24D32 (1)
Weight, g/mol:	381.137179
ΔH_f, kcal/mol:	13.19
Dipole, Da:	5.77
IP(EA), eV:	-9.23(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1CC(=O)N2CCC(CC2)C3=NN=CN3C4CC4)C5=CC=CC=C5

DOS

IR

Vibrations