Geometry & MOs

Info

ID:	267395
PubChem CID:	103582094
Reduced:	BrFN2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	335.09971
ΔH_f, kcal/mol:	-14.72
Dipole, Da:	2.59
IP(EA), eV:	-8.56(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3,5-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(C)C2=CC(=CN=C2)F

DOS

IR

Vibrations