Geometry & MOs

Info

ID:	208589
PubChem CID:	80549690
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-46.32
Dipole, Da:	2.94
IP(EA), eV:	-9.41(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(carbamoylamino)propanoylamino]phenyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/CN(C)CC1=CN=CC=C1

DOS

IR

Vibrations