Geometry & MOs

Info

ID:	169777
PubChem CID:	75146095
Reduced:	F2O3N4C24H24 (1)
Stoich.:	A2B3C4D24E24 (1)
Weight, g/mol:	384.158626
ΔH_f, kcal/mol:	-82.4
Dipole, Da:	3.38
IP(EA), eV:	-8.73(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1H-indol-3-ylmethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C=CC3=NOC(N3CCO)(C)C4=CC(=CC(=C4)F)F)OC

DOS

IR

Vibrations