Geometry & MOs

Info

ID:	242471
PubChem CID:	96100294
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	321.125946
ΔH_f, kcal/mol:	-55.82
Dipole, Da:	3.4
IP(EA), eV:	-9.28(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@@H]2CN(CCO2)C(=O)CCC3=CC=CO3

DOS

IR

Vibrations