Geometry & MOs

Info

ID:	246466
PubChem CID:	103059742
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	258.176585
ΔH_f, kcal/mol:	-44.65
Dipole, Da:	3.31
IP(EA), eV:	-8.88(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-(1,4-thiazepan-4-ylmethyl)oxan-4-amine

Drug info:

PubChemData

Smile

CCNC1CCOCC1CN(CC2=CC=CO2)C3CC3

DOS

IR

Vibrations