Geometry & MOs

Info

ID:	123018
PubChem CID:	50830597
Reduced:	O5N6H22C25 (1)
Stoich.:	A5B6C22D25 (1)
Weight, g/mol:	352.181173
ΔH_f, kcal/mol:	-48.83
Dipole, Da:	0.6
IP(EA), eV:	-8.39(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN2C=NC3=C(C2=O)N(C4=CC=CC=C43)CC(=O)NC5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations