Geometry & MOs

Info

ID:	447220
PubChem CID:	135281286
Reduced:	O2N5C9H13 (1)
Stoich.:	A2B5C9D13 (1)
Weight, g/mol:	499.129028
ΔH_f, kcal/mol:	-55.67
Dipole, Da:	3.31
IP(EA), eV:	-8.93(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(CC1OC(=O)N)C2=NC=NC(=C2)N

DOS

IR

Vibrations