Geometry & MOs

Info

ID:	165367
PubChem CID:	74540741
Reduced:	F2N2O3H16C20 (1)
Stoich.:	A2B2C3D16E20 (1)
Weight, g/mol:	382.131742
ΔH_f, kcal/mol:	-102.35
Dipole, Da:	6.63
IP(EA), eV:	-9.04(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(furan-2-yl)-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,8,16,18,20-heptaene-13,22-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)C=CC2=CN(N=C2)C3=CC=CC=C3)OC(F)F

DOS

IR

Vibrations