Geometry & MOs

Info

ID:	125962
PubChem CID:	50945928
Reduced:	O2N6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	392.152765
ΔH_f, kcal/mol:	7.09
Dipole, Da:	3.34
IP(EA), eV:	-8.1(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC(=N1)N2CCOCC2)NC3=CC=C(C=C3)NC(=O)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations