Geometry & MOs

Info

ID:	446284
PubChem CID:	135273786
Reduced:	ClFN5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	457.18305
ΔH_f, kcal/mol:	31.48
Dipole, Da:	7.21
IP(EA), eV:	-8.91(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15,15-diphenyl-11-azahexacyclo[14.7.1.02,14.04,12.05,10.020,24]tetracosa-1(23),2(14),3,5,7,9,12,16,18,20(24),21-undecaene

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCNCC3F)N(N=C2)C4=CC(=NC(=N4)C)Cl

DOS

IR

Vibrations