Geometry & MOs

Info

ID:	205440
PubChem CID:	80102406
Reduced:	NO3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	276.116173
ΔH_f, kcal/mol:	-70.59
Dipole, Da:	5.21
IP(EA), eV:	-8.8(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-2-[(4-hydroxyphenyl)methyl]propane-1,3-diol

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)/C=C\3/CC(=O)NC3=O

DOS

IR

Vibrations