Geometry & MOs

Info

ID:	330428
PubChem CID:	127247415
Reduced:	ON3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	297.15896
ΔH_f, kcal/mol:	2.33
Dipole, Da:	6.85
IP(EA), eV:	-9.36(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopropylpyrimidin-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC3=C(CCC3)C=C2)C4=CC=NN4

DOS

IR

Vibrations