Geometry & MOs

Info

ID:	325511
PubChem CID:	126683707
Reduced:	O3N4H14C16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	463.0968
ΔH_f, kcal/mol:	2.43
Dipole, Da:	3.64
IP(EA), eV:	-8.37(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopropyl-3-ethyl-2-iodo-5-[(2-methylpropan-2-yl)oxycarbonyl]-3a,4,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2=NC(=CN2N=C1C)C3=CC4=C(C=C(C=C4O3)OC)O

DOS

IR

Vibrations