Geometry & MOs

Info

ID:	397138
PubChem CID:	135029779
Reduced:	O2H24C27 (1)
Stoich.:	A2B24C27 (1)
Weight, g/mol:	402.09831
ΔH_f, kcal/mol:	-21.82
Dipole, Da:	4.6
IP(EA), eV:	-9.04(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromopentacyclo[14.3.2.27,10.14,19.113,17]pentacosa-1(19),2,4(22),7,9,13(23),14,16,24-nonaene

Drug info:

PubChemData

Smile

CC(=O)C1=C2CCC3=CC4=C(CCC5=C(C4=O)C=C(CCC(=C1)C=C2)C=C5)C=C3

DOS

IR

Vibrations