Geometry & MOs

Info

ID:	187174
PubChem CID:	77539399
Reduced:	N2O3F4C15H16 (1)
Stoich.:	A2B3C4D15E16 (1)
Weight, g/mol:	458.173421
ΔH_f, kcal/mol:	-322.21
Dipole, Da:	7.48
IP(EA), eV:	-10.26(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(8-chloroimidazo[1,2-a]pyridin-3-yl)-2-[1-(3-piperazin-1-ylphenyl)ethylamino]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1CN2C(CC3=C(C2=O)C(=CC=C3)CF)CN1.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations