Geometry & MOs

Info

ID:	164815
PubChem CID:	74457873
Reduced:	ClO2F3N3C18H24 (1)
Stoich.:	AB2C3D3E18F24 (1)
Weight, g/mol:	441.27399
ΔH_f, kcal/mol:	-230.47
Dipole, Da:	4.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754577
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-(3,7-dibutyl-2,6-dioxo-4,5-dihydropurin-8-yl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1CCCC[NH+]1CC(=O)N(C)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations