Geometry & MOs

Info

ID:	297115
PubChem CID:	117609636
Reduced:	ClO2N4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	516.259737
ΔH_f, kcal/mol:	-32.46
Dipole, Da:	4.72
IP(EA), eV:	-8.85(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanopropan-2-yl)-N-[5-[2-[[(2S)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-6-methylpyridin-3-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=C(C1=O)N2CCOCC2)C3=C(N=CC(=C3)N)Cl

DOS

IR

Vibrations