Geometry & MOs

Info

ID:	285448
PubChem CID:	104105652
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	259.079763
ΔH_f, kcal/mol:	-8.96
Dipole, Da:	5.14
IP(EA), eV:	-9.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]pentan-2-ol

Drug info:

PubChemData

Smile

CC(CC(C)O)NCC1=CC=C(C=C1)N2C=CN=C2

DOS

IR

Vibrations