Geometry & MOs

Info

ID:	245802
PubChem CID:	103024002
Reduced:	OSN2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-23.27
Dipole, Da:	3.85
IP(EA), eV:	-8.54(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)CC2CCSCC2

DOS

IR

Vibrations