Geometry & MOs

Info

ID:	184596
PubChem CID:	77181785
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	764.342611
ΔH_f, kcal/mol:	-179.8
Dipole, Da:	5.68
IP(EA), eV:	-9.79(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[6-(2,2-diphenylethylamino)-9-[4-(4-ethyltriazol-2-yl)-2,3-dihydroxycyclopentyl]purin-2-yl]pyrrolidin-3-yl]-3-(pyridin-4-ylmethyl)urea;hydrochloride

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)N(C(=O)O)C(C)(C)C

DOS

IR

Vibrations