Geometry & MOs

Info

ID:	281347
PubChem CID:	103913740
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	305.156184
ΔH_f, kcal/mol:	1.31
Dipole, Da:	5.93
IP(EA), eV:	-9.13(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(2-thiomorpholin-4-ylethylamino)ethyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CCC1=CN=C(O1)CNC(C)C2=CC=C(C=C2)OCC#N

DOS

IR

Vibrations