Geometry & MOs

Info

ID:	126111
PubChem CID:	50951997
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	367.183067
ΔH_f, kcal/mol:	-91.34
Dipole, Da:	6.01
IP(EA), eV:	-9.02(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-5-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1CC1C(=O)N2C[C@H]3CN(C[C@]3(C2)C(=O)O)C4CC5=CC=CC=C5C4

DOS

IR

Vibrations