Geometry & MOs

Info

ID:	419010
PubChem CID:	135107315
Reduced:	N2O2C23H28 (1)
Stoich.:	A2B2C23D28 (1)
Weight, g/mol:	322.169271
ΔH_f, kcal/mol:	-67.25
Dipole, Da:	6.34
IP(EA), eV:	-8.49(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[1-(3-fluorophenyl)piperidin-4-yl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)O

DOS

IR

Vibrations