Geometry & MOs

Info

ID:	407308
PubChem CID:	135079775
Reduced:	NOSiF3C16H24 (1)
Stoich.:	ABCD3E16F24 (1)
Weight, g/mol:	253.110279
ΔH_f, kcal/mol:	-234.83
Dipole, Da:	4.25
IP(EA), eV:	-8.87(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-8-(4-cyanophenyl)oct-2-en-7-ynoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCN=CC1=CC=C(C=C1)C(F)(F)F

DOS

IR

Vibrations