Geometry & MOs

Info

ID:	41949
PubChem CID:	8147903
Reduced:	O3N4C23H23 (1)
Stoich.:	A3B4C23D23 (1)
Weight, g/mol:	342.121572
ΔH_f, kcal/mol:	-10.68
Dipole, Da:	9.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764909
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations