Geometry & MOs

Info

ID:	340605
PubChem CID:	127262616
Reduced:	BrClO2N3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	227.071306
ΔH_f, kcal/mol:	-84.19
Dipole, Da:	2.22
IP(EA), eV:	-10.02(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2,3-dihydro-1H-indene-2-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(C1)N=C(N=C2Br)Cl

DOS

IR

Vibrations