Geometry & MOs

Info

ID:	188951
PubChem CID:	77792111
Reduced:	FN2O4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	403.221954
ΔH_f, kcal/mol:	-166.48
Dipole, Da:	3.86
IP(EA), eV:	-8.27(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-acetamido-7-benzyl-6-oxo-1,2,3,4,5,8-hexahydropurin-9-yl)butyl acetate

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)OCC(CO)O)C(=O)C3=C1NC4=C3C=CC(=C4F)N)C

DOS

IR

Vibrations