Geometry & MOs

Info

ID:	275998
PubChem CID:	103819844
Reduced:	BrN3O3C10H12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	226.10659
ΔH_f, kcal/mol:	-88.83
Dipole, Da:	3.38
IP(EA), eV:	-10.22(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-amino-2-oxoethoxy)ethyl]-5-methyl-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)C(=O)NCCOCC(=O)N

DOS

IR

Vibrations