Geometry & MOs

Info

ID:	199649
PubChem CID:	79276883
Reduced:	FN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-132.94
Dipole, Da:	7.07
IP(EA), eV:	-9.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-propan-2-ylphenyl)carbamoyl-prop-2-enylamino]acetic acid

Drug info:

PubChemData

Smile

C=CCN(CC(=O)NC1=CC=CC=C1F)CC(=O)O

DOS

IR

Vibrations