Geometry & MOs

Info

ID:	330416
PubChem CID:	127247403
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	286.154209
ΔH_f, kcal/mol:	-17.14
Dipole, Da:	1.22
IP(EA), eV:	-9.43(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)C(=O)N2CCCC(C2)C3=CC=NN3

DOS

IR

Vibrations