Geometry & MOs

Info

ID:	264634
PubChem CID:	103478524
Reduced:	BrFNCl2H9C13 (1)
Stoich.:	ABCD2E9F13 (1)
Weight, g/mol:	327.01379
ΔH_f, kcal/mol:	-15.18
Dipole, Da:	2.59
IP(EA), eV:	-8.82(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-chloro-N-[(2-propylpyrazol-3-yl)methyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)F)CNC2=C(C(=CC=C2)Cl)Br

DOS

IR

Vibrations