Geometry & MOs

Info

ID:	419639
PubChem CID:	135108574
Reduced:	FN2O2C19H25 (1)
Stoich.:	AB2C2D19E25 (1)
Weight, g/mol:	335.148121
ΔH_f, kcal/mol:	-138.45
Dipole, Da:	3.8
IP(EA), eV:	-9.44(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4S)-3-carboxy-3-(cyclopropylmethyl)-4-hydroxypiperidin-1-yl]-6-methylpyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)C(=O)CCC3=CC(=CC=C3)F

DOS

IR

Vibrations