Geometry & MOs

Info

ID:	198989
PubChem CID:	79185284
Reduced:	FSN2O3H11C14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	167.1674
ΔH_f, kcal/mol:	-89.34
Dipole, Da:	3.79
IP(EA), eV:	-8.73(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(3-methylcyclopentyl)but-3-en-1-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC#N)S(=O)(=O)NC2=CC(=C(C=C2)O)F

DOS

IR

Vibrations