Geometry & MOs

Info

ID:	294921
PubChem CID:	117505325
Reduced:	NSO2C18H27 (1)
Stoich.:	ABC2D18E27 (1)
Weight, g/mol:	321.17625
ΔH_f, kcal/mol:	-75.84
Dipole, Da:	4.28
IP(EA), eV:	-8.39(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-methoxy-3-(thian-4-yloxy)phenyl]cyclopentyl]methanamine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC2CCCSC2)C3(CCCC3)CN

DOS

IR

Vibrations