Geometry & MOs

Info

ID:	48192
PubChem CID:	10537820
Reduced:	ClO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	236.02006
ΔH_f, kcal/mol:	-54.26
Dipole, Da:	0.76
IP(EA), eV:	-9.34(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromopropyl)-1H-indene

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C=C/C1=CC=C(C=C1)Cl

DOS

IR

Vibrations