Geometry & MOs

Info

ID:	262495
PubChem CID:	103296891
Reduced:	FON2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	296.08085
ΔH_f, kcal/mol:	-48.97
Dipole, Da:	4.19
IP(EA), eV:	-8.73(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropyl-(2-fluoro-3-methyl-5-nitrobenzoyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC#CCCNC(=O)C1=C(C(=CC(=C1)N)C)F

DOS

IR

Vibrations