Geometry & MOs

Info

ID:	418158
PubChem CID:	135103730
Reduced:	ON5C24H27 (1)
Stoich.:	AB5C24D27 (1)
Weight, g/mol:	321.15896
ΔH_f, kcal/mol:	28.9
Dipole, Da:	3.51
IP(EA), eV:	-9.33(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-2-[1-(2-pyrazol-1-ylphenyl)ethylamino]pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CC(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations