Geometry & MOs

Info

ID:	337665
PubChem CID:	127258288
Reduced:	O2S2N3C7H9 (1)
Stoich.:	A2B2C3D7E9 (1)
Weight, g/mol:	208.14633
ΔH_f, kcal/mol:	20.18
Dipole, Da:	4.94
IP(EA), eV:	-9.14(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(6E)-6-ethylidene-2-bicyclo[2.2.1]heptanyl]oxy]butanal

Drug info:

PubChemData

Smile

CC1=NN=C(S1)SO/N=C(/C)\CC=O

DOS

IR

Vibrations