Geometry & MOs

Info

ID:	313071
PubChem CID:	126611626
Reduced:	ClFON3H15C17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	340.215078
ΔH_f, kcal/mol:	7.87
Dipole, Da:	7.04
IP(EA), eV:	-9.67(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,18S,19S,20S)-19-(methoxymethyl)-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-18-ol

Drug info:

PubChemData

Smile

COC(CN1C=NC=N1)(C2=CC=C(C=C2)F)C3=CC=CC=C3Cl

DOS

IR

Vibrations