Geometry & MOs

Info

ID:	345907
PubChem CID:	127270207
Reduced:	FON5C18H18 (1)
Stoich.:	ABC5D18E18 (1)
Weight, g/mol:	350.120132
ΔH_f, kcal/mol:	32.09
Dipole, Da:	4.49
IP(EA), eV:	-8.9(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydroindol-1-yl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-ylamino)ethanone

Drug info:

PubChemData

Smile

COCC1=NC2=NC=NN2C(=C1)N3CC4(CCC4)C5=C3C=CC=C5F

DOS

IR

Vibrations