Geometry & MOs

Info

ID:	186666
PubChem CID:	77464560
Reduced:	NF2O2C21H21 (1)
Stoich.:	AB2C2D21E21 (1)
Weight, g/mol:	412.184566
ΔH_f, kcal/mol:	-135.9
Dipole, Da:	6.1
IP(EA), eV:	-8.83(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxyindol-1-yl)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;4-methylmorpholine

Drug info:

PubChemData

Smile

CC1(C(C1C2=CC=C(C=C2)N3CCC(C3)(F)F)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations