Geometry & MOs

Info

ID:	164037
PubChem CID:	74381585
Reduced:	BrON2C23H25 (1)
Stoich.:	ABC2D23E25 (1)
Weight, g/mol:	432.26376
ΔH_f, kcal/mol:	31.11
Dipole, Da:	2.19
IP(EA), eV:	-8.75(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[8-[4-(4-propan-2-ylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]piperidin-2-one

Drug info:

PubChemData

Smile

CC(=C(C1=CC=CC=C1)C2=C(N=C3C=CC(=CC3=C2)Br)OC)CCN(C)C

DOS

IR

Vibrations