Geometry & MOs

Info

ID:	185164
PubChem CID:	77263942
Reduced:	O3N6C21H32 (1)
Stoich.:	A3B6C21D32 (1)
Weight, g/mol:	417.236262
ΔH_f, kcal/mol:	-86.21
Dipole, Da:	7.22
IP(EA), eV:	-8.53(0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-cyclopentyl-6-methyl-5,7-dioxo-N-(3-piperazin-1-ylpropyl)-4aH-pyrimido[5,4-e][1,2,4]triazin-8-ium-3-carboxamide

Drug info:

PubChemData

Smile

CC1C2C(C(=O)NC(=O)N2C)NC(N1)C3=CC=C(C=C3)OCCN4CCN(CC4)C

DOS

IR

Vibrations