Geometry & MOs

Info

ID:	231695
PubChem CID:	87574461
Reduced:	NO4C26H29 (1)
Stoich.:	AB4C26D29 (1)
Weight, g/mol:	419.209658
ΔH_f, kcal/mol:	-96.25
Dipole, Da:	5.77
IP(EA), eV:	-8.58(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-cyclohexyl-2-[3-methyl-2-[[(2S)-oxiran-2-yl]methoxy]phenyl]-1H-indole-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=C(C3=C(N2)C=C(C=C3)C(=O)OC)C4CCCCC4)OCC5CO5

DOS

IR

Vibrations