Geometry & MOs

Info

ID:	248425
PubChem CID:	103081529
Reduced:	ClFNOC13H17 (1)
Stoich.:	ABCDE13F17 (1)
Weight, g/mol:	337.06774
ΔH_f, kcal/mol:	-89.95
Dipole, Da:	1.86
IP(EA), eV:	-9.37(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]-3-methoxycyclopentan-1-amine

Drug info:

PubChemData

Smile

COC1CCC(C1)NCC2=CC(=CC(=C2)Cl)F

DOS

IR

Vibrations