Geometry & MOs

Info

ID:	305522
PubChem CID:	124958339
Reduced:	FO3N4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	440.222369
ΔH_f, kcal/mol:	-144.65
Dipole, Da:	7.01
IP(EA), eV:	-9.09(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4,6-dimethyl-2-[(3S)-1-[(2R)-oxolane-2-carbonyl]piperidin-3-yl]pyrimidin-5-yl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)[C@@H]2CCCN(C2)C(=O)[C@H]3CCCO3)C)CC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations