Geometry & MOs

Info

ID:	415029
PubChem CID:	135088009
Reduced:	ClON6C14H17 (1)
Stoich.:	ABC6D14E17 (1)
Weight, g/mol:	283.121986
ΔH_f, kcal/mol:	15.32
Dipole, Da:	3.09
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(4-fluoro-2-methoxyphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)N)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3)Cl

DOS

IR

Vibrations