Geometry & MOs

Info

ID:	137784
PubChem CID:	52262019
Reduced:	ON4C23H33 (1)
Stoich.:	AB4C23D33 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	0.41
Dipole, Da:	4.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752986
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-2-(methoxymethyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)[NH+]1CCC(CC1)NC(=O)C2=C3CCCCCN3C(=N2)C4=CC=CC=C4

DOS

IR

Vibrations