Geometry & MOs

Info

ID:	397190
PubChem CID:	135029863
Reduced:	O3C28H28 (1)
Stoich.:	A3B28C28 (1)
Weight, g/mol:	416.07758
ΔH_f, kcal/mol:	-73.28
Dipole, Da:	3.95
IP(EA), eV:	-8.95(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

20-bromopentacyclo[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

CCOC(=O)C(=O)C1=C2CCC3=CC=C(CCC4=CC=C(CCC(=C1)C=C2)C=C4)C=C3

DOS

IR

Vibrations