Geometry & MOs

Info

ID:	221032
PubChem CID:	85256545
Reduced:	ON2C6H15 (2)
Stoich.:	AB2C6D15 (2)
Weight, g/mol:	262.139137
ΔH_f, kcal/mol:	-117.1
Dipole, Da:	2.2
IP(EA), eV:	-9.2(2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-phenyl dec-3-enethioate

Drug info:

PubChemData

Smile

C(CCNCC(CCN)O)CNCC(CCN)O

DOS

IR

Vibrations