Geometry & MOs

Info

ID:	403071
PubChem CID:	135058609
Reduced:	NOSSiC22H27 (1)
Stoich.:	ABCDE22F27 (1)
Weight, g/mol:	419.1674
ΔH_f, kcal/mol:	-22.88
Dipole, Da:	1.84
IP(EA), eV:	-9.14(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11,12-diphenyl-10-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2,4,6,8,11,14,16,18,20-decaene

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC(C1=CSC=C1)C2=CN=CC(=C2)C3=CC=CC=C3

DOS

IR

Vibrations