Geometry & MOs

Info

ID:	145728
PubChem CID:	53582640
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	37.19
Dipole, Da:	4.31
IP(EA), eV:	-9.47(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylpiperidin-1-yl)-2-[4-(4-nitrophenyl)pyrazol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NC(=NN2CC(=O)N(C)C3CC3)C

DOS

IR

Vibrations