Geometry & MOs

Info

ID:	447231
PubChem CID:	135281347
Reduced:	ClO4N8C32H39 (1)
Stoich.:	AB4C8D32E39 (1)
Weight, g/mol:	465.168001
ΔH_f, kcal/mol:	-73.95
Dipole, Da:	4.25
IP(EA), eV:	-8.51(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC=C2)N3CCN(CC3)C4=CC5=NC(=CN5C=C4)C6=CC(=C(C=C6OC)OC)Cl

DOS

IR

Vibrations