Geometry & MOs

Info

ID:	248451
PubChem CID:	103081724
Reduced:	NOCl2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	295.079763
ΔH_f, kcal/mol:	-48.96
Dipole, Da:	2.18
IP(EA), eV:	-9.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1CCC(C1)NCC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations