Geometry & MOs

Info

ID:	271296
PubChem CID:	103654265
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	294.230728
ΔH_f, kcal/mol:	-40.37
Dipole, Da:	1.49
IP(EA), eV:	-9.7(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N,N-bis(3-methylbutyl)oxane-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1(C#N)C(=O)NOCC2=CC=CC=C2

DOS

IR

Vibrations