Geometry & MOs

Info

ID:	130392
PubChem CID:	51075806
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	256.178693
ΔH_f, kcal/mol:	-53.83
Dipole, Da:	5.24
IP(EA), eV:	-8.63(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxane-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CCN3C=NC=N3

DOS

IR

Vibrations