Geometry & MOs

Info

ID:	435137
PubChem CID:	135181583
Reduced:	BrON3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	144.068748
ΔH_f, kcal/mol:	-14.35
Dipole, Da:	4.17
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyridin-3-ylmethyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C(C=C1)C2=C(C(=O)N3CCCCC3=N2)Br

DOS

IR

Vibrations