Geometry & MOs

Info

ID:	397139
PubChem CID:	135029780
Reduced:	BrH23C25 (1)
Stoich.:	AB23C25 (1)
Weight, g/mol:	414.234751
ΔH_f, kcal/mol:	42.48
Dipole, Da:	1.95
IP(EA), eV:	-8.81(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-phenylethenyl]tetracyclo[14.2.2.24,7.210,13]tetracosa-1(19),4,6,10(22),11,13(21),16(20),17,23-nonaene

Drug info:

PubChemData

Smile

C1CC2=CC3=C(CCC4=C(C3)C=C(CCC5=CC=C1C=C5)C(=C4)Br)C=C2

DOS

IR

Vibrations