Geometry & MOs

Info

ID:	26164
PubChem CID:	639506
Reduced:	NH11C13 (1)
Stoich.:	AB11C13 (1)
Weight, g/mol:	373.127385
ΔH_f, kcal/mol:	70.11
Dipole, Da:	1.49
IP(EA), eV:	-8.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[4-[(2-methyl-5-nitrophenyl)carbamoylamino]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=CC=CC=N2

DOS

IR

Vibrations