Geometry & MOs

Info

ID:	155689
PubChem CID:	56366920
Reduced:	F3N3O3H16C21 (1)
Stoich.:	A3B3C3D16E21 (1)
Weight, g/mol:	408.154603
ΔH_f, kcal/mol:	-193.63
Dipole, Da:	6.48
IP(EA), eV:	-9.1(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2=CC=CC(=C2)C(F)(F)F)C(=O)NCC(=O)NC3=CN=CC=C3

DOS

IR

Vibrations