Geometry & MOs

Info

ID:	361665
PubChem CID:	127303997
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	331.146681
ΔH_f, kcal/mol:	21.52
Dipole, Da:	7.53
IP(EA), eV:	-9.37(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3CCN(CC3)C(=O)CCC4=NC5=CC=CC=C5O4

DOS

IR

Vibrations