Geometry & MOs

Info

ID:	307146
PubChem CID:	125275394
Reduced:	N2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	335.126991
ΔH_f, kcal/mol:	-52.81
Dipole, Da:	5.25
IP(EA), eV:	-9.66(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1,3-benzodioxol-4-ylmethylideneamino]-3-(2H-indol-3-yl)propanamide

Drug info:

PubChemData

Smile

COC(=O)CC[C@@H]1C(=O)N=C2C=CC=CC2=N1

DOS

IR

Vibrations