Geometry & MOs

Info

ID:	313680
PubChem CID:	126617178
Reduced:	Cl2N3O4C34H37 (1)
Stoich.:	A2B3C4D34E37 (1)
Weight, g/mol:	338.0266
ΔH_f, kcal/mol:	-133.46
Dipole, Da:	1.91
IP(EA), eV:	-8.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-1-(oxan-2-yl)indazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OCCN1C2=C(C=C(C=C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=N1)C5CCN(CC5)C(=O)OC(C)(C)C

DOS

IR

Vibrations