Geometry & MOs

Info

ID:	245783
PubChem CID:	103023920
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	18.96
Dipole, Da:	3.68
IP(EA), eV:	-9.23(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-aminoethoxy)-4-(2-methylpyrazol-3-yl)butan-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)CCC2=CC=CC=N2

DOS

IR

Vibrations