Geometry & MOs

Info

ID:	69636
PubChem CID:	47205063
Reduced:	BrO2N3H8C9 (1)
Stoich.:	AB2C3D8E9 (1)
Weight, g/mol:	245.080041
ΔH_f, kcal/mol:	1.19
Dipole, Da:	4.46
IP(EA), eV:	-9.85(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-pyrazol-5-ylmethyl)-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C1=C(OC(=C1)Br)C(=O)NCC2=CC=NN2

DOS

IR

Vibrations