Geometry & MOs

Info

ID:	275817
PubChem CID:	103818099
Reduced:	BrFNOH13C14 (1)
Stoich.:	ABCDE13F14 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	-44.35
Dipole, Da:	0.92
IP(EA), eV:	-8.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yl-N-[(1-propylpyrazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CO)NCC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations