Geometry & MOs

Info

ID:	248426
PubChem CID:	103081535
Reduced:	BrNO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	251.134385
ΔH_f, kcal/mol:	-18.63
Dipole, Da:	3.87
IP(EA), eV:	-8.9(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[(4-methylsulfanylphenyl)methyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

COC1CCC(C1)NCC2=C(C=CC(=C2)Br)OCC#C

DOS

IR

Vibrations