Geometry & MOs

Info

ID:	70923
PubChem CID:	48414053
Reduced:	BrN3O3C15H18 (1)
Stoich.:	AB3C3D15E18 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-63.97
Dipole, Da:	3.75
IP(EA), eV:	-8.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Br)C(=O)NCC2=C(NN=C2)C)OC

DOS

IR

Vibrations