Geometry & MOs

Info

ID:	305404
PubChem CID:	124807139
Reduced:	S2O3N4C14H20 (1)
Stoich.:	A2B3C4D14E20 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-52.8
Dipole, Da:	6.69
IP(EA), eV:	-9.4(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-1-[(7R)-7-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1C[C@@H](CN2C(=CC=N2)C1)OCC3=CSC(=N3)C

DOS

IR

Vibrations