Geometry & MOs

Info

ID:	245781
PubChem CID:	103023913
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	209.152812
ΔH_f, kcal/mol:	-7.56
Dipole, Da:	4.34
IP(EA), eV:	-9.3(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2=CC=C(O2)CN

DOS

IR

Vibrations