Geometry & MOs

Info

ID:	187759
PubChem CID:	77619900
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	472.316189
ΔH_f, kcal/mol:	29.49
Dipole, Da:	6.66
IP(EA), eV:	-8.1(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-ethoxy-5-[2-(4-ethylpiperazin-1-yl)acetyl]phenyl]-1-methyl-3-propyl-3,3a,4,5,6,7a-hexahydro-2H-pyrazolo[4,3-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

CN(C)CCOC1=C(C=C2CC3C(NNC3C2=C1)C4=CC=C(C=C4)C#N)OC

DOS

IR

Vibrations