Geometry & MOs

Info

ID:	371638
PubChem CID:	131269440
Reduced:	FOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	188.044659
ΔH_f, kcal/mol:	-180.92
Dipole, Da:	5.74
IP(EA), eV:	-9.17(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-(1,2,4-triazin-3-yl)-1,2-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)OC)CO)C(F)F

DOS

IR

Vibrations