Geometry & MOs

Info

ID:	59763
PubChem CID:	24896203
Reduced:	O2N4C29H46 (1)
Stoich.:	A2B4C29D46 (1)
Weight, g/mol:	572.241704
ΔH_f, kcal/mol:	-103.88
Dipole, Da:	8.26
IP(EA), eV:	-8.75(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-ethoxy-5-[4-[2-oxo-2-(oxolan-2-yl)ethyl]piperazin-1-yl]sulfonylphenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

CN(C)CCCC(=O)N(CCN1C2CCC1CC(C2)C3=CC(=CC=C3)C(=O)N)CC4CCCCC4

DOS

IR

Vibrations