Geometry & MOs

Info

ID:	436134
PubChem CID:	135194051
Reduced:	ClO2F3N4C30H30 (1)
Stoich.:	AB2C3D4E30F30 (1)
Weight, g/mol:	475.188736
ΔH_f, kcal/mol:	-176.36
Dipole, Da:	7.95
IP(EA), eV:	-8.38(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-ethyl-N-[[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C2=C(N1C)C=CC(=C2)Cl)C(=O)NCC3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations