Geometry & MOs

Info

ID:	192643
PubChem CID:	78296015
Reduced:	O3N5C15H25 (1)
Stoich.:	A3B5C15D25 (1)
Weight, g/mol:	393.225028
ΔH_f, kcal/mol:	-98.73
Dipole, Da:	5.06
IP(EA), eV:	-9.2(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 4-[(1,3-dimethyl-2,6-dioxo-7-propyl-5H-purin-3-ium-8-yl)methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC3C(N2CCOC)C(=O)NC(=O)N3C

DOS

IR

Vibrations