Geometry & MOs

Info

ID:	220871
PubChem CID:	85240228
Reduced:	FNO4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	281.137556
ΔH_f, kcal/mol:	-191.62
Dipole, Da:	3.46
IP(EA), eV:	-9.62(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-dimethylpyrazin-2-yl)methoxycarbonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=C(CC1=CC=CC=C1)F)NC(=O)OC

DOS

IR

Vibrations