Geometry & MOs

Info

ID:	61399
PubChem CID:	26708920
Reduced:	FOBr2N3H12C17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	494.96162
ΔH_f, kcal/mol:	13.83
Dipole, Da:	3.36
IP(EA), eV:	-9.49(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=CC=N2)NC(=O)C3=C(C=C(C=C3)Br)F)Br

DOS

IR

Vibrations