Geometry & MOs

Info

ID:	222664
PubChem CID:	85308073
Reduced:	O2C13H24 (1)
Stoich.:	A2B13C24 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	-92.38
Dipole, Da:	2.85
IP(EA), eV:	-10.34(1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(dimethylamino)ethoxy]ethenyl]benzonitrile

Drug info:

PubChemData

Smile

CCCCCC(CC(CCCC#C)O)O

DOS

IR

Vibrations