Geometry & MOs

Info

ID:	145678
PubChem CID:	53569697
Reduced:	ClN3O3C16H16 (1)
Stoich.:	AB3C3D16E16 (1)
Weight, g/mol:	320.149793
ΔH_f, kcal/mol:	-66.96
Dipole, Da:	5.09
IP(EA), eV:	-8.57(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrazol-4-yl]-6-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1)NC(=O)C2=NOC3=C2CCCC3)Cl

DOS

IR

Vibrations