Geometry & MOs

Info

ID:	255588
PubChem CID:	103133191
Reduced:	ON3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	237.184112
ΔH_f, kcal/mol:	14.12
Dipole, Da:	4.36
IP(EA), eV:	-9.28(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)-5-methyl-1-(1-methylpyrazol-3-yl)hexan-1-one

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2CC3CCC2N3

DOS

IR

Vibrations