Geometry & MOs

Info

ID:	156496
PubChem CID:	56370861
Reduced:	N2O3C21H32 (1)
Stoich.:	A2B3C21D32 (1)
Weight, g/mol:	405.216475
ΔH_f, kcal/mol:	-133.94
Dipole, Da:	2.29
IP(EA), eV:	-8.66(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[butyl(methyl)amino]-N-[2-oxo-2-(4-pyrazol-1-ylanilino)ethyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CC(=O)NC2CCN(C2)C3CCCCCC3)OC

DOS

IR

Vibrations