Geometry & MOs

Info

ID:	325848
PubChem CID:	126685289
Reduced:	ClFSO4N5C31H39 (1)
Stoich.:	ABCD4E5F31G39 (1)
Weight, g/mol:	141.058992
ΔH_f, kcal/mol:	-173.7
Dipole, Da:	3.26
IP(EA), eV:	-9.08(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(fluoromethyl)pyridin-4-yl]methanol

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCNC[C@@H]1CCC2=C(C=CC=C2F)NC(=O)C[C@@H](C3=CC=C(C=C3)Cl)C4=CN=C(C=N4)OC(C)C

DOS

IR

Vibrations