Geometry & MOs

Info

ID:	363195
PubChem CID:	127310263
Reduced:	FN6C18H19 (1)
Stoich.:	AB6C18D19 (1)
Weight, g/mol:	377.232794
ΔH_f, kcal/mol:	62.84
Dipole, Da:	4.33
IP(EA), eV:	-8.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-pyridin-4-yl-6-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)C3=NC=NC4=C3C(=CC=C4)F

DOS

IR

Vibrations