Geometry & MOs

Info

ID:	178776
PubChem CID:	76381243
Reduced:	FNOSC12H15 (2)
Stoich.:	ABCDE12F15 (2)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-160.34
Dipole, Da:	4.39
IP(EA), eV:	-8.48(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-but-2-enyl-4-(2-ethoxyethoxy)benzene

Drug info:

PubChemData

Smile

C1CSC(=N1)CC(NSC2=CC3CC(C(C3C2)C(=O)CCCCC4=CC=CC=C4)O)(F)F

DOS

IR

Vibrations