Geometry & MOs

Info

ID:	264882
PubChem CID:	103500653
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	294.068367
ΔH_f, kcal/mol:	-96.13
Dipole, Da:	5.94
IP(EA), eV:	-9.12(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-6-fluoro-2,3-dihydroindole

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NOC(=N2)C(C)C(C)C(=O)O

DOS

IR

Vibrations