Geometry & MOs

Info

ID:	245785
PubChem CID:	103023927
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-10.8
Dipole, Da:	2.73
IP(EA), eV:	-9.53(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(=O)CC2(CCC2)N

DOS

IR

Vibrations