Geometry & MOs

Info

ID:	330263
PubChem CID:	127247250
Reduced:	ON6C15H16 (1)
Stoich.:	AB6C15D16 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	77.17
Dipole, Da:	6.52
IP(EA), eV:	-9.55(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-5-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=CC4=NNN=C4C=C3

DOS

IR

Vibrations