Geometry & MOs

Info

ID:	77209
PubChem CID:	48425929
Reduced:	ClNOC7H9 (2)
Stoich.:	ABCD7E9 (2)
Weight, g/mol:	308.153621
ΔH_f, kcal/mol:	-102.97
Dipole, Da:	3.45
IP(EA), eV:	-9.56(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-4-(4-fluorophenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations