Geometry & MOs

Info

ID:	182765
PubChem CID:	76936557
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-101.2
Dipole, Da:	3.74
IP(EA), eV:	-8.82(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methyl-4-[methyl-[2-(methylamino)-2-oxoethyl]amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(C)CC(=O)N)C=CC(=O)O

DOS

IR

Vibrations