Geometry & MOs

Info

ID:	191154
PubChem CID:	78112214
Reduced:	OBr2H18C20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	449.96531
ΔH_f, kcal/mol:	21.5
Dipole, Da:	5.26
IP(EA), eV:	-9.29(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1',1'-dibromo-3'-(4-methoxyphenyl)spiro[8,9-dihydro-7H-benzo[7]annulene-6,2'-cyclopropane]-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3(C2(Br)Br)CCCC4=CC=CC=C4C3=O

DOS

IR

Vibrations