Geometry & MOs

Info

ID:	137874
PubChem CID:	52277021
Reduced:	FON4C16H19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	377.221561
ΔH_f, kcal/mol:	-32.28
Dipole, Da:	7.07
IP(EA), eV:	-8.98(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]-6-(2-pyrazol-1-ylethyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C)[C@H](CNC(=O)NC1=CN=CC=C1)C2=CC=C(C=C2)F

DOS

IR

Vibrations