Geometry & MOs

Info

ID:	355265
PubChem CID:	127288197
Reduced:	ON8C15H20 (1)
Stoich.:	AB8C15D20 (1)
Weight, g/mol:	298.146347
ΔH_f, kcal/mol:	65.93
Dipole, Da:	7.38
IP(EA), eV:	-8.66(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-(oxan-2-ylmethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=NNC(=C2)C(=O)NCC3=NN=C(N3C)C

DOS

IR

Vibrations