Geometry & MOs

Info

ID:	387707
PubChem CID:	134986517
Reduced:	BrClNSO2C11H15 (1)
Stoich.:	ABCDE2F11G15 (1)
Weight, g/mol:	240.11503
ΔH_f, kcal/mol:	-48.77
Dipole, Da:	3.15
IP(EA), eV:	-9.36(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-ylmethyl)-2,3-dimethyl-3H-inden-1-one

Drug info:

PubChemData

Smile

CC(C)(C)N(S(=O)(=O)C(C1=CC=CC=C1)Br)Cl

DOS

IR

Vibrations