Geometry & MOs

Info

ID:	261757
PubChem CID:	103249574
Reduced:	NO2F6H7C10 (1)
Stoich.:	AB2C6D7E10 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-359.12
Dipole, Da:	1.54
IP(EA), eV:	-9.31(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1F)F)F)NCC(C(=O)O)C(F)(F)F

DOS

IR

Vibrations