Geometry & MOs

Info

ID:	245752
PubChem CID:	103023823
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-27.12
Dipole, Da:	2.84
IP(EA), eV:	-9.55(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-5-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(CC(=O)CCC1=CC=NN1C)N

DOS

IR

Vibrations