Geometry & MOs

Info

ID:	125178
PubChem CID:	50913450
Reduced:	FON5H16C19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	77.51
Dipole, Da:	6.41
IP(EA), eV:	-9.55(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S,10S)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=NN3C=C(C=NC3=N2)C#CC4=CC=C(C=C4)F

DOS

IR

Vibrations