Geometry & MOs

Info

ID:	159611
PubChem CID:	57288532
Reduced:	NF3O6C27H42 (1)
Stoich.:	AB3C6D27E42 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-488.68
Dipole, Da:	4.66
IP(EA), eV:	-10.23(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(methoxymethyl)-1H-indol-3-yl]cyclohexan-1-one

Drug info:

PubChemData

Smile

CCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@H]2[C@H]1[C@H]([C@H](CC2)C)CC[C@H]3C[C@H](CC(=O)O3)O)N(C)C(=O)C(F)(F)F

DOS

IR

Vibrations