Geometry & MOs

Info

ID:	279768
PubChem CID:	103845107
Reduced:	BrNOC14H22 (1)
Stoich.:	ABCD14E22 (1)
Weight, g/mol:	273.075427
ΔH_f, kcal/mol:	-55.92
Dipole, Da:	4.04
IP(EA), eV:	-8.91(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNC(CCO)C(C)C)Br

DOS

IR

Vibrations