Geometry & MOs

Info

ID:	344342
PubChem CID:	127267518
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	333.162332
ΔH_f, kcal/mol:	-13.0
Dipole, Da:	2.83
IP(EA), eV:	-9.26(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC=C1C(=O)N2CCC(C2)C3=NC=CN3

DOS

IR

Vibrations