Geometry & MOs

Info

ID:	261457
PubChem CID:	103234832
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-21.73
Dipole, Da:	3.75
IP(EA), eV:	-8.44(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,5-dimethylanilino)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NCC2=NC=NC=C2C(=O)O

DOS

IR

Vibrations