Geometry & MOs

Info

ID:	195981
PubChem CID:	78759154
Reduced:	BrN3O3H8C15 (1)
Stoich.:	AB3C3D8E15 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	36.2
Dipole, Da:	2.91
IP(EA), eV:	-9.39(-2.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)C2=CC3=NC(=O)C(=O)N=C3C=C2)Br

DOS

IR

Vibrations