Geometry & MOs

Info

ID:	305690
PubChem CID:	124965644
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	433.227789
ΔH_f, kcal/mol:	-97.02
Dipole, Da:	8.16
IP(EA), eV:	-8.46(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C(=N1)[C@H]2CN(CCO2)C(=O)C3=CC4=C(CCCC4)NC3=O)C

DOS

IR

Vibrations