Geometry & MOs

Info

ID:	245932
PubChem CID:	103029777
Reduced:	BrFN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	227.145619
ΔH_f, kcal/mol:	11.65
Dipole, Da:	1.83
IP(EA), eV:	-9.13(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(1-methylpyrazol-4-yl)-5-methylsulfanylpentan-3-amine

Drug info:

PubChemData

Smile

CNC(CCC1=CN(N=C1)C)C2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations