Geometry & MOs

Info

ID:	159397
PubChem CID:	57269813
Reduced:	O3C37H58 (1)
Stoich.:	A3B37C58 (1)
Weight, g/mol:	225.99522
ΔH_f, kcal/mol:	-182.67
Dipole, Da:	2.39
IP(EA), eV:	-9.04(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2,3-dihydroinden-1-ylidene)acetyl chloride

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCC

DOS

IR

Vibrations