Geometry & MOs

Info

ID:	370365
PubChem CID:	127338230
Reduced:	ON6C14H20 (1)
Stoich.:	AB6C14D20 (1)
Weight, g/mol:	351.118753
ΔH_f, kcal/mol:	50.95
Dipole, Da:	2.38
IP(EA), eV:	-8.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-cyclopropyl-5-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C2=NN=C(C=C2)NCCN3CCOCC3

DOS

IR

Vibrations