Geometry & MOs

Info

ID:	248441
PubChem CID:	103081673
Reduced:	OF2N3H13C14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	289.0136
ΔH_f, kcal/mol:	-64.62
Dipole, Da:	3.78
IP(EA), eV:	-8.94(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromothiophen-2-yl)methyl]-3-methoxycyclopentan-1-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=N2)NCCOCC(F)F)C#N

DOS

IR

Vibrations