Geometry & MOs

Info

ID:	149586
PubChem CID:	53789260
Reduced:	O4N5C27H37 (1)
Stoich.:	A4B5C27D37 (1)
Weight, g/mol:	263.085875
ΔH_f, kcal/mol:	-119.07
Dipole, Da:	4.77
IP(EA), eV:	-7.96(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-11-phenyl-3,5-diazatricyclo[5.3.1.12,6]dodeca-1(11),2(12),3,5,7,9-hexaen-4-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)OC(CN2CCN(CC2)C3=CC=CC=N3)CN4C(=C5CC=CCC5=C4O)O

DOS

IR

Vibrations