Geometry & MOs

Info

ID:	193072
PubChem CID:	78338147
Reduced:	O2N5C26H33 (1)
Stoich.:	A2B5C26D33 (1)
Weight, g/mol:	487.25834
ΔH_f, kcal/mol:	-34.67
Dipole, Da:	3.75
IP(EA), eV:	-9.18(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-7-(3-methylbutyl)-1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2CCCN3C2NC4C3C(=O)N(C(=O)N4C)CCCC5=CC=CC=C5)C

DOS

IR

Vibrations