Geometry & MOs

Info

ID:	245751
PubChem CID:	103023818
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	209.152812
ΔH_f, kcal/mol:	-7.07
Dipole, Da:	2.18
IP(EA), eV:	-9.31(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2C3CCC(C3)C2N

DOS

IR

Vibrations