Geometry & MOs

Info

ID:	160628
PubChem CID:	57389260
Reduced:	FON7H24C27 (1)
Stoich.:	ABC7D24E27 (1)
Weight, g/mol:	222.055991
ΔH_f, kcal/mol:	70.85
Dipole, Da:	3.47
IP(EA), eV:	-8.68(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R,12S)-5-chloro-2-oxa-4,11-diazatetracyclo[7.5.0.01,12.03,8]tetradeca-3(8),4,6-triene

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)N2CCOC3=C(C2)C=C(C=C3)C4=CN5C=C(N=C5N=C4)N)CC6=CC=C(C=C6)F

DOS

IR

Vibrations