Geometry & MOs

Info

ID:	80289
PubChem CID:	49833853
Reduced:	O2N4C11H22 (1)
Stoich.:	A2B4C11D22 (1)
Weight, g/mol:	472.244756
ΔH_f, kcal/mol:	-103.55
Dipole, Da:	5.22
IP(EA), eV:	-9.57(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-ethylbenzimidazol-1-yl)-9-methyl-8-(2-propan-2-yl-1,2,4-triazol-3-yl)purin-6-yl]morpholine

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)N)N1CCCC1C(=O)NCCN

DOS

IR

Vibrations