Geometry & MOs

Info

ID:	147857
PubChem CID:	53787515
Reduced:	OC5H6 (4)
Stoich.:	AB5C6 (4)
Weight, g/mol:	423.334859
ΔH_f, kcal/mol:	-148.88
Dipole, Da:	3.31
IP(EA), eV:	-8.11(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(dimethylamino)methyl]-2-hydroxy-7-[(1R,2S)-2-(3-hydroxyoct-1-enyl)cyclopentyl]-3-methylhept-5-enoate

Drug info:

PubChemData

Smile

CC(C)(C1CCC(=CC1)C2=C(C3=CC=CC=C3C(=C2O)O)O)OC

DOS

IR

Vibrations