Geometry & MOs

Info

ID:	155971
PubChem CID:	56368545
Reduced:	N2O2C25H28 (1)
Stoich.:	A2B2C25D28 (1)
Weight, g/mol:	418.211724
ΔH_f, kcal/mol:	-24.61
Dipole, Da:	2.57
IP(EA), eV:	-9.32(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylphenyl)acetyl]-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCOCC1=CC=CC=C1CNC(=O)N(C)CC2=CC=CC=C2C3=CC=CC=C3

DOS

IR

Vibrations