Geometry & MOs

Info

ID:	255802
PubChem CID:	103134809
Reduced:	FON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	242.120132
ΔH_f, kcal/mol:	-4.92
Dipole, Da:	2.74
IP(EA), eV:	-8.99(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-5-[(5-methyloxolan-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)F)C(C3=NN(C=C3)C)NC

DOS

IR

Vibrations