Geometry & MOs

Info

ID:	382419
PubChem CID:	134973559
Reduced:	N3O4C17H23 (1)
Stoich.:	A3B4C17D23 (1)
Weight, g/mol:	151.1361
ΔH_f, kcal/mol:	-161.13
Dipole, Da:	4.33
IP(EA), eV:	-8.68(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-ethyloct-2-enenitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(N=C2N1C=CC=C2)C(C)(C)CC(=O)O

DOS

IR

Vibrations