Geometry & MOs

Info

ID:	346874
PubChem CID:	127271378
Reduced:	N3O4C20H31 (1)
Stoich.:	A3B4C20D31 (1)
Weight, g/mol:	390.201553
ΔH_f, kcal/mol:	-211.98
Dipole, Da:	3.49
IP(EA), eV:	-9.34(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C(C)NC(=O)C(C)N2C(=O)C3CCCCC3C2=O

DOS

IR

Vibrations