Geometry & MOs

Info

ID:	449770
PubChem CID:	135301295
Reduced:	NO4C12H18 (2)
Stoich.:	AB4C12D18 (2)
Weight, g/mol:	414.228043
ΔH_f, kcal/mol:	-345.78
Dipole, Da:	5.32
IP(EA), eV:	-8.8(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[5-methyl-4-[6-(pyridin-3-ylamino)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCCN1C(=O)C(=O)C2=CC(=C(C=C2)OC)OCCNC(O)OC(C)(C)C

DOS

IR

Vibrations