Geometry & MOs

Info

ID:	327962
PubChem CID:	126691537
Reduced:	N3C5H11 (1)
Stoich.:	A3B5C11 (1)
Weight, g/mol:	814.413946
ΔH_f, kcal/mol:	20.36
Dipole, Da:	2.82
IP(EA), eV:	-8.28(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-9-propan-2-ylpurin-8-yl]ethyl]-3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzamide

Drug info:

PubChemData

Smile

C/C(=N\C(=C)NC)/N

DOS

IR

Vibrations