Geometry & MOs

Info

ID:	255266
PubChem CID:	103131025
Reduced:	BrFN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	224.200097
ΔH_f, kcal/mol:	11.07
Dipole, Da:	4.35
IP(EA), eV:	-9.2(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-ethyl-2-N,2-N,2-trimethyl-1-(1-methylpyrazol-3-yl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CCCNC(C1=NN(C=C1)C)C2=CC(=CC(=C2)Br)F

DOS

IR

Vibrations