Geometry & MOs

Info

ID:	310462
PubChem CID:	126580560
Reduced:	O2N5C24H31 (1)
Stoich.:	A2B5C24D31 (1)
Weight, g/mol:	483.214951
ΔH_f, kcal/mol:	-31.57
Dipole, Da:	3.43
IP(EA), eV:	-7.91(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[[(2-chloro-9-ethyl-6-morpholin-4-ylpurin-8-yl)methyl-methylamino]methyl]phenyl]-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C=CC2=C(N=C(N=C21)N3CCCC3)C4=CC(=CC=C4)OCCCC(=O)NC

DOS

IR

Vibrations