Geometry & MOs

Info

ID:	384717
PubChem CID:	134977536
Reduced:	BrH17C28 (1)
Stoich.:	AB17C28 (1)
Weight, g/mol:	358.214409
ΔH_f, kcal/mol:	179.88
Dipole, Da:	1.85
IP(EA), eV:	-8.41(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1R,10S)-tetracyclo[8.6.2.01,10.02,9]octadeca-2(9),17-diene-17,18-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C=C=C2C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(C=C5)Br

DOS

IR

Vibrations