Geometry & MOs

Info

ID:	389965
PubChem CID:	134996278
Reduced:	O2C6H11 (2)
Stoich.:	A2B6C11 (2)
Weight, g/mol:	255.108171
ΔH_f, kcal/mol:	-185.13
Dipole, Da:	3.03
IP(EA), eV:	-8.37(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-4-phenylbut-1-enyl]sulfanylaniline

Drug info:

PubChemData

Smile

C[C@@H](C1=COC(O1)(C)C)OCOC(C)(C)C

DOS

IR

Vibrations