Geometry & MOs

Info

ID:	243202
PubChem CID:	99216882
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	438.237939
ΔH_f, kcal/mol:	-86.19
Dipole, Da:	4.75
IP(EA), eV:	-8.86(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-7-[4-[4-(N-methylanilino)piperidin-1-yl]-4-oxobutyl]purine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)N1CCC(CC1)N(C)C2=CC=CC=C2)NC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations