Geometry & MOs

Info

ID:	308762
PubChem CID:	126522458
Reduced:	FN7H14C22 (1)
Stoich.:	AB7C14D22 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	178.23
Dipole, Da:	5.55
IP(EA), eV:	-8.62(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methoxy-1-methylindol-3-yl)cyclohexan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CNN=C6)/C=C23

DOS

IR

Vibrations