Geometry & MOs

Info

ID:	69741
PubChem CID:	47205311
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	262.10659
ΔH_f, kcal/mol:	-62.62
Dipole, Da:	6.51
IP(EA), eV:	-9.6(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-oxo-2-(1H-pyrazol-5-ylmethylamino)ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2CC(CC(C1)C2=O)C(=O)NCC3=CC=NN3

DOS

IR

Vibrations