Geometry & MOs

Info

ID:	441767
PubChem CID:	135243986
Reduced:	NC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	557.21435
ΔH_f, kcal/mol:	35.19
Dipole, Da:	2.02
IP(EA), eV:	-8.8(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

25-[4-(9H-fluoren-9-yl)phenyl]-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene

Drug info:

PubChemData

Smile

CC/C=C/CC1=CC=CC=C1N=CC

DOS

IR

Vibrations