Geometry & MOs

Info

ID:	189421
PubChem CID:	77853225
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	-99.25
Dipole, Da:	3.98
IP(EA), eV:	-8.96(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-5-[3-oxo-3-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-5H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)OC2CN(C2)C(=O)C3CCCO3

DOS

IR

Vibrations