Geometry & MOs

Info

ID:	190597
PubChem CID:	78026749
Reduced:	ON2F3H29C30 (1)
Stoich.:	AB2C3D29E30 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-112.61
Dipole, Da:	2.66
IP(EA), eV:	-9.17(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1,8,10,12(25),16,20(24),22-heptaen-21-one

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(NC(CC2=CC=CC=C2)(C3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=N4)O

DOS

IR

Vibrations