Geometry & MOs

Info

ID:	187457
PubChem CID:	77574107
Reduced:	F3N3O3C25H34 (1)
Stoich.:	A3B3C3D25E34 (1)
Weight, g/mol:	275.209658
ΔH_f, kcal/mol:	-296.87
Dipole, Da:	4.18
IP(EA), eV:	-9.39(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-pyrrolidin-3-yldecane-3,4,6,7-tetrol

Drug info:

PubChemData

Smile

CC(C)C1(CCC(C1)N(C(=O)O)C(C)(C)C)C(=O)N2CCC(=CC2)C3=NC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations