Geometry & MOs

Info

ID:	397191
PubChem CID:	135029864
Reduced:	BrOH21C25 (1)
Stoich.:	ABC21D25 (1)
Weight, g/mol:	495.98604
ΔH_f, kcal/mol:	20.73
Dipole, Da:	2.4
IP(EA), eV:	-9.06(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

20,21-dibromopentacyclo[14.3.2.27,10.14,19.113,17]pentacosa-1(19),2,4(22),7,9,13(23),14,16,24-nonaen-18-one

Drug info:

PubChemData

Smile

C1CC2=CC3=C(CC(C4=C(C3=O)C=C(CCC5=CC=C1C=C5)C=C4)Br)C=C2

DOS

IR

Vibrations