Geometry & MOs

Info

ID:	146681
PubChem CID:	53730319
Reduced:	FNO3C28H30 (1)
Stoich.:	ABC3D28E30 (1)
Weight, g/mol:	187.074562
ΔH_f, kcal/mol:	-100.54
Dipole, Da:	3.7
IP(EA), eV:	-8.75(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-imino-2,7-diazatricyclo[6.3.1.04,12]dodeca-1,3,8(12)-trien-11-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CC=CC=C2COCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations