Geometry & MOs

Info

ID:	447307
PubChem CID:	135281891
Reduced:	FN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	535.221099
ΔH_f, kcal/mol:	-119.55
Dipole, Da:	5.55
IP(EA), eV:	-8.96(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CNC(=O)OC1=C(C=CC(=C1)C(CCC2CC2)N3C=CC=CC3=O)F

DOS

IR

Vibrations