Geometry & MOs

Info

ID:	23541
PubChem CID:	604401
Reduced:	ClOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	312.068385
ΔH_f, kcal/mol:	-100.66
Dipole, Da:	5.0
IP(EA), eV:	-8.87(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(6,7-dichloro-3,4-dihydronaphthalen-1-yl)butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCCC1=CCCC2=CC(=C(C=C21)Cl)Cl

DOS

IR

Vibrations