Geometry & MOs

Info

ID:	360910
PubChem CID:	127301616
Reduced:	OSN4C21H28 (1)
Stoich.:	ABC4D21E28 (1)
Weight, g/mol:	393.162332
ΔH_f, kcal/mol:	22.13
Dipole, Da:	8.43
IP(EA), eV:	-9.0(-0.26)
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-(4-methylphenyl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

C1CCCC2=C(CC1)C=C(S2)C(=O)N3CCC(CC3)C4=NN=CN4C5CC5

DOS

IR

Vibrations