Geometry & MOs

Info

ID:	423456
PubChem CID:	135119528
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	299.096914
ΔH_f, kcal/mol:	-98.42
Dipole, Da:	4.87
IP(EA), eV:	-8.76(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(2,6-difluoro-3-methylbenzoyl)-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)CC(=O)N3CCNCC3

DOS

IR

Vibrations