Geometry & MOs

Info

ID:	427680
PubChem CID:	135161204
Reduced:	BrNO2C10H14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-74.08
Dipole, Da:	3.4
IP(EA), eV:	-9.06(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methylpropan-2-yl)oxymethoxymethyl]indazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(CC(C(=O)N1)Br)/C=C\COC

DOS

IR

Vibrations