Geometry & MOs

Info

ID:	352480
PubChem CID:	127283568
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	387.092059
ΔH_f, kcal/mol:	-58.08
Dipole, Da:	5.45
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations