Geometry & MOs

Info

ID:	55477
PubChem CID:	17395440
Reduced:	ClN2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	316.074533
ΔH_f, kcal/mol:	-120.06
Dipole, Da:	5.68
IP(EA), eV:	-9.24(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-2-oxoethyl]-2,5-dichloro-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)CCN2C3=C(C=C(C=C3)Cl)OC2=O

DOS

IR

Vibrations