Geometry & MOs

Info

ID:	297470
PubChem CID:	117618590
Reduced:	NOC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	245.122735
ΔH_f, kcal/mol:	-21.3
Dipole, Da:	1.83
IP(EA), eV:	-9.18(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-6,6-difluoro-2-pyridin-2-ylheptane-2,3-diol

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)C(C2=CC=CC=N2)(C(C)(C)C)O

DOS

IR

Vibrations