Geometry & MOs

Info

ID:	121200
PubChem CID:	50758399
Reduced:	N5O5H11C17 (1)
Stoich.:	A5B5C11D17 (1)
Weight, g/mol:	467.176896
ΔH_f, kcal/mol:	-52.06
Dipole, Da:	7.74
IP(EA), eV:	-9.31(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[(3-fluorophenyl)methyl]-6-N-[(4-fluorophenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=O)N3)CC4=NC(=NO4)C5=CC=CC=N5

DOS

IR

Vibrations