Geometry & MOs

Info

ID:	34076
PubChem CID:	7889723
Reduced:	N2O3H16C17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	257.068808
ΔH_f, kcal/mol:	-63.39
Dipole, Da:	5.05
IP(EA), eV:	-8.71(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzodioxol-5-ylmethyl pyridine-4-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=CC=NC=C3

DOS

IR

Vibrations