Geometry & MOs

Info

ID:	265735
PubChem CID:	103543277
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	367.95633
ΔH_f, kcal/mol:	-148.12
Dipole, Da:	1.97
IP(EA), eV:	-8.32(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-N-(2-bromo-5-chlorophenyl)-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCO1)CNC(=O)C2=CC3=C(C=C2N)OCO3

DOS

IR

Vibrations