Geometry & MOs

Info

ID:	287673
PubChem CID:	104251440
Reduced:	NO2C12H27 (1)
Stoich.:	AB2C12D27 (1)
Weight, g/mol:	211.103085
ΔH_f, kcal/mol:	-124.32
Dipole, Da:	1.59
IP(EA), eV:	-8.89(1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-2-yl)-1-thiophen-2-ylethanamine

Drug info:

PubChemData

Smile

CCCNC(CC(C)OC)COCCC

DOS

IR

Vibrations