Geometry & MOs

Info

ID:	338857
PubChem CID:	127259868
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	208.092186
ΔH_f, kcal/mol:	43.05
Dipole, Da:	0.74
IP(EA), eV:	-8.82(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-butan-2-yl 2-phenylethanethioate

Drug info:

PubChemData

Smile

C/C=C(\C)/CN(CCC1=CC=CC=C1)CC2=CC=CC=C2

DOS

IR

Vibrations