Geometry & MOs

Info

ID:	417562
PubChem CID:	135102046
Reduced:	NF2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	-223.11
Dipole, Da:	3.23
IP(EA), eV:	-9.09(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-hydroxypiperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=C(C=C(C=C2)F)F)C(=O)O

DOS

IR

Vibrations