Geometry & MOs

Info

ID:	261463
PubChem CID:	103234986
Reduced:	NO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	221.068808
ΔH_f, kcal/mol:	-58.61
Dipole, Da:	5.09
IP(EA), eV:	-8.68(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,3-benzodioxol-5-ylamino)methyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NCC2=C(C3=CC=CC=C3O2)C(=O)O

DOS

IR

Vibrations