Geometry & MOs

Info

ID:	359023
PubChem CID:	127297267
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-58.84
Dipole, Da:	5.33
IP(EA), eV:	-9.53(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano(cyclopropyl)methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)N2CCCC(C2)C(=O)NC(C#N)C3CC3

DOS

IR

Vibrations