Geometry & MOs

Info

ID:	337153
PubChem CID:	127256718
Reduced:	F2O3H10C13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-174.92
Dipole, Da:	4.88
IP(EA), eV:	-9.8(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydroxyazepan-1-yl)-1-phenylethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(C(C=C2)(O)F)(C(=O)O)F

DOS

IR

Vibrations