Geometry & MOs

Info

ID:	137739
PubChem CID:	52255761
Reduced:	ClO3N4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	372.159769
ΔH_f, kcal/mol:	-130.3
Dipole, Da:	3.02
IP(EA), eV:	-9.18(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)NC(=O)CNC1=C(C=CC(=C1)Cl)C(=O)N2CCCCC2

DOS

IR

Vibrations