Geometry & MOs

Info

ID:	245791
PubChem CID:	103023956
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	209.152812
ΔH_f, kcal/mol:	-31.99
Dipole, Da:	2.83
IP(EA), eV:	-9.0(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-methyl-1-(2-methylpyrazol-3-yl)hexan-3-one

Drug info:

PubChemData

Smile

CC(CC(=O)CCC1=CC=NN1C)C2CCCNC2

DOS

IR

Vibrations