Geometry & MOs

Info

ID:	365837
PubChem CID:	127318777
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	-85.35
Dipole, Da:	1.52
IP(EA), eV:	-9.24(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-oxo-2-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl]-2-pyrazol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1C2=CNN=C2)NC(=O)C3CCCCC3

DOS

IR

Vibrations