Geometry & MOs

Info

ID:	197390
PubChem CID:	78961772
Reduced:	O2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	237.063722
ΔH_f, kcal/mol:	12.61
Dipole, Da:	3.44
IP(EA), eV:	-8.78(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1,3-benzodioxol-5-yl)-3-formamidopropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)NC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations