Geometry & MOs

Info

ID:	243589
PubChem CID:	99233178
Reduced:	FO2N4C27H33 (1)
Stoich.:	AB2C4D27E33 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-96.08
Dipole, Da:	2.85
IP(EA), eV:	-8.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(6-methyl-4-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)CCCNC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations