Geometry & MOs

Info

ID:	159728
PubChem CID:	57288674
Reduced:	C13H21 (2)
Stoich.:	A13B21 (2)
Weight, g/mol:	411.104205
ΔH_f, kcal/mol:	-65.3
Dipole, Da:	0.51
IP(EA), eV:	-8.72(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyimino-2-[2-[2-[[3-(trifluoromethyl)pyridin-2-yl]oxyamino]ethenoxymethyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CCCCCCC1(CCCCC1)C2=CC3=C(CC(CC3)CCCC)C=C2

DOS

IR

Vibrations