Geometry & MOs

Info

ID:	441716
PubChem CID:	135241751
Reduced:	SN2F5O7H23C28 (1)
Stoich.:	AB2C5D7E23F28 (1)
Weight, g/mol:	175.099714
ΔH_f, kcal/mol:	-426.14
Dipole, Da:	8.26
IP(EA), eV:	-9.52(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(cyclopenten-1-yl)pyridin-2-yl]methanol

Drug info:

PubChemData

Smile

C1CN([C@H]1C(=O)N(CC2=CC=C(C=C2)[C@H]3CCOC3)C4=CC(=C(C=C4)C(=O)O)O)S(=O)(=O)C5=C(C(=C(C(=C5F)F)F)F)F

DOS

IR

Vibrations