Geometry & MOs

Info

ID:	230222
PubChem CID:	87570453
Reduced:	SN4O4C19H20 (1)
Stoich.:	AB4C4D19E20 (1)
Weight, g/mol:	686.143113
ΔH_f, kcal/mol:	-122.13
Dipole, Da:	3.95
IP(EA), eV:	-9.34(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-1-ol;[2,3,5,6-tetrafluoro-4-(1-methoxyethyl)phenyl]methanol;zirconium

Drug info:

PubChemData

Smile

CCC(C(=O)O)N1C=C(C=CC1=O)C2=CC3=C(C=C2)SC(=N3)NC(=O)NCC

DOS

IR

Vibrations