Geometry & MOs

Info

ID:	206146
PubChem CID:	80211792
Reduced:	OSN2C15H26 (1)
Stoich.:	ABC2D15E26 (1)
Weight, g/mol:	295.158372
ΔH_f, kcal/mol:	-59.07
Dipole, Da:	4.38
IP(EA), eV:	-8.28(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[ethyl-[1-(3-fluoro-4-methylphenyl)ethyl]amino]oxolane-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)N(CC(C)C)C2CCCC2)CO

DOS

IR

Vibrations