Geometry & MOs

Info

ID:	233298
PubChem CID:	89649875
Reduced:	FO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	416.07356
ΔH_f, kcal/mol:	-126.31
Dipole, Da:	4.03
IP(EA), eV:	-8.71(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[[2-bromo-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC(=C2CNC1=O)NC(=O)N[C@@H]3CC4(CCC4)OC5=C3C=C(C=C5)F

DOS

IR

Vibrations