Geometry & MOs

Info

ID:	275834
PubChem CID:	103818230
Reduced:	BrClON3C14H17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	378.98986
ΔH_f, kcal/mol:	6.34
Dipole, Da:	7.22
IP(EA), eV:	-8.69(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CNC2=C(C(=CC(=C2)Cl)Br)OCC

DOS

IR

Vibrations