Geometry & MOs

Info

ID:	307564
PubChem CID:	125307512
Reduced:	ClFON3H13C20 (1)
Stoich.:	ABCD3E13F20 (1)
Weight, g/mol:	444.20605
ΔH_f, kcal/mol:	33.53
Dipole, Da:	4.42
IP(EA), eV:	-9.2(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-oxidopiperidin-1-ium-1-yl]propoxy]-3-methoxyphenyl]ethanol

Drug info:

PubChemData

Smile

C1C(=NN=C1C(=O)NC2=C(C=C(C=C2)Cl)F)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations