Geometry & MOs

Info

ID:	446870
PubChem CID:	135278375
Reduced:	ClFSN4O8C50H58 (1)
Stoich.:	ABCD4E8F50G58 (1)
Weight, g/mol:	315.163457
ΔH_f, kcal/mol:	-329.52
Dipole, Da:	4.84
IP(EA), eV:	-8.47(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-fluoro-4-phenylmethoxyphenyl)piperidin-4-yl]methanol

Drug info:

Smile

C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCN3CCC(CC3)C4=CC=C(C=C4)OC5=C(SC6=C5C=CC(=C6)O)C7=CC=C(C=C7)F)O

DOS

IR

Vibrations