Geometry & MOs

Info

ID:	251767
PubChem CID:	103106784
Reduced:	OF2N3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-116.66
Dipole, Da:	6.48
IP(EA), eV:	-8.75(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=C(C=CC(=C1F)F)N

DOS

IR

Vibrations