Geometry & MOs

Info

ID:	183356
PubChem CID:	77011695
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	262.131742
ΔH_f, kcal/mol:	-117.85
Dipole, Da:	9.1
IP(EA), eV:	-8.89(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methyl-5-(propylcarbamoylamino)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCNC(=O)NC1=CC(=C(C=C1)C)C=CC(=O)O

DOS

IR

Vibrations