Geometry & MOs

Info

ID:	202673
PubChem CID:	79709123
Reduced:	BrFNC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	311.04334
ΔH_f, kcal/mol:	-45.97
Dipole, Da:	3.54
IP(EA), eV:	-9.09(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-5-fluorophenyl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

CNC(CC1=CC(=CC(=C1)Br)F)C2CCCC2

DOS

IR

Vibrations