Geometry & MOs

Info

ID:	408320
PubChem CID:	135081086
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	197.123591
ΔH_f, kcal/mol:	-24.6
Dipole, Da:	4.04
IP(EA), eV:	-9.25(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-trimethylsilyloxyhept-6-enenitrile

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](N(C1=O)CCC2=CC=CC=C2)C

DOS

IR

Vibrations