Geometry & MOs

Info

ID:	411592
PubChem CID:	135084424
Reduced:	ON3C12H20 (1)
Stoich.:	AB3C12D20 (1)
Weight, g/mol:	230.040151
ΔH_f, kcal/mol:	164.44
Dipole, Da:	8.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771967
Charge, e:	0

Chem-info

IUPAC name:

phenyl (E)-3-thiophen-2-ylprop-2-enoate

Drug info:

PubChemData

Smile

C1CCC2CCC(C1)CN(C2)/C(=C/[N+]#N)/O

DOS

IR

Vibrations