Geometry & MOs

Info

ID:	386504
PubChem CID:	134981967
Reduced:	BrSiC25H31 (1)
Stoich.:	ABC25D31 (1)
Weight, g/mol:	328.045506
ΔH_f, kcal/mol:	71.32
Dipole, Da:	2.51
IP(EA), eV:	-8.49(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-22-fluorohexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene

Drug info:

PubChemData

Smile

CC1=C(C(=C2C1=CC=CC=C2)CCC3=CC=CC=C3Br)[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations