Geometry & MOs

Info

ID:	336661
PubChem CID:	127255668
Reduced:	OCl2H14C16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	220.98401
ΔH_f, kcal/mol:	-23.16
Dipole, Da:	4.17
IP(EA), eV:	-9.29(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2,3-dihydro-1H-indene-5-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)C(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations