Geometry & MOs

Info

ID:	198376
PubChem CID:	79092165
Reduced:	FO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	250.117824
ΔH_f, kcal/mol:	-104.78
Dipole, Da:	4.37
IP(EA), eV:	-9.14(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-amino-1H-pyrazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

Drug info:

PubChemData

Smile

C1CN2C(CNC2=O)CN1C(=O)C3=C(C=C(C=C3)N)F

DOS

IR

Vibrations