Geometry & MOs

Info

ID:	295022
PubChem CID:	117511937
Reduced:	FNO2S2C15H22 (1)
Stoich.:	ABC2D2E15F22 (1)
Weight, g/mol:	330.99678
ΔH_f, kcal/mol:	-128.24
Dipole, Da:	2.55
IP(EA), eV:	-8.95(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CSC1=C(C=C(C=C1S(=O)(=O)C)C2(CCCCC2)CN)F

DOS

IR

Vibrations