Geometry & MOs

Info

ID:	399672
PubChem CID:	135041620
Reduced:	FON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	253.149806
ΔH_f, kcal/mol:	-45.27
Dipole, Da:	3.9
IP(EA), eV:	-8.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-[tert-butyl(dimethyl)silyl]oxyethenyl]-2-hydroxypent-4-enenitrile

Drug info:

PubChemData

Smile

CN(C)C(=O)NC1=CC=CC=C1C2=CC(=CC=C2)F

DOS

IR

Vibrations