Geometry & MOs

Info

ID:	156005
PubChem CID:	56368734
Reduced:	BrFO2N4H18C19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	368.167083
ΔH_f, kcal/mol:	-72.96
Dipole, Da:	3.74
IP(EA), eV:	-8.95(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[ethyl(propan-2-yl)amino]methyl]-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)NC(=O)C2=C(N=CC=C2)OC3=C(C=C(C=C3)F)Br

DOS

IR

Vibrations