Geometry & MOs

Info

ID:	201851
PubChem CID:	79593084
Reduced:	N2S2O3C14H22 (1)
Stoich.:	A2B2C3D14E22 (1)
Weight, g/mol:	257.02154
ΔH_f, kcal/mol:	-62.48
Dipole, Da:	2.42
IP(EA), eV:	-9.03(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromo-4-fluorophenyl)pent-3-en-1-amine

Drug info:

PubChemData

Smile

CC(C)OCCS(=O)(=O)N(C)CC1=CC(=CS1)C#CCN

DOS

IR

Vibrations