Geometry & MOs

Info

ID:	198098
PubChem CID:	79046433
Reduced:	FNO3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	239.132157
ΔH_f, kcal/mol:	-131.11
Dipole, Da:	3.74
IP(EA), eV:	-9.77(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-fluoro-5-methylanilino)oxan-3-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)N2C=C(C=CC2=O)C(=O)O

DOS

IR

Vibrations