Geometry & MOs

Info

ID:	126490
PubChem CID:	50966303
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	362.125802
ΔH_f, kcal/mol:	-57.25
Dipole, Da:	6.85
IP(EA), eV:	-9.02(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chloro-2-ethylpyrazole-3-carbonyl)-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=CC(=C2)OC)C(=O)NCCC3=CN=CN3

DOS

IR

Vibrations