Geometry & MOs

Info

ID:	183350
PubChem CID:	77011588
Reduced:	O2N6C11H20 (1)
Stoich.:	A2B6C11D20 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-18.0
Dipole, Da:	7.57
IP(EA), eV:	-9.01(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C(=NO)N)C(=O)NCCC1=NN=CN1C

DOS

IR

Vibrations