Geometry & MOs

Info

ID:	142511
PubChem CID:	53047678
Reduced:	ON5C25H29 (1)
Stoich.:	AB5C25D29 (1)
Weight, g/mol:	439.157516
ΔH_f, kcal/mol:	16.0
Dipole, Da:	2.96
IP(EA), eV:	-8.39(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-fluorophenyl)-[4-[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NC(=CC(=N2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)C)C)C

DOS

IR

Vibrations