Geometry & MOs

Info

ID:	131247
PubChem CID:	51181112
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	333.076786
ΔH_f, kcal/mol:	-135.25
Dipole, Da:	3.63
IP(EA), eV:	-8.99(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-[1-(2-methoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCC(CC1)C(=O)NCC(C2=CC=CO2)N3CCCCC3

DOS

IR

Vibrations