Geometry & MOs

Info

ID:	325532
PubChem CID:	126683796
Reduced:	FO4N6C22H29 (1)
Stoich.:	AB4C6D22E29 (1)
Weight, g/mol:	393.01855
ΔH_f, kcal/mol:	-163.59
Dipole, Da:	4.34
IP(EA), eV:	-8.93(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-iodospiro[4,7-dihydro-3aH-pyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CO)NC(=O)C1=CC(=NC(=N1)OCC(C)F)N2CCC(CC2)C3=NC(=C(C=C3)N)C=O

DOS

IR

Vibrations