Geometry & MOs

Info

ID:	372112
PubChem CID:	131293307
Reduced:	FNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	180.064726
ΔH_f, kcal/mol:	-34.92
Dipole, Da:	3.29
IP(EA), eV:	-9.22(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-methyl-1,2-oxazol-4-yl)-1,2,5-oxadiazol-3-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2(CC2)CC#N)O)F

DOS

IR

Vibrations