Geometry & MOs

Info

ID:	382910
PubChem CID:	134974345
Reduced:	BrIOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	371.136887
ΔH_f, kcal/mol:	-12.02
Dipole, Da:	3.18
IP(EA), eV:	-9.77(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dimethoxy-3,6'-dioxospiro[4H-isoquinoline-1,3'-cyclohexa-1,4-diene]-2-yl)ethyl acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=O)C(C=C1Br)I

DOS

IR

Vibrations