Geometry & MOs

Info

ID:	125942
PubChem CID:	50944845
Reduced:	OSN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	405.227709
ΔH_f, kcal/mol:	-32.66
Dipole, Da:	4.89
IP(EA), eV:	-8.6(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]-N-(2-methylphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)CC)NC(CC)CO

DOS

IR

Vibrations