Geometry & MOs

Info

ID:	77004
PubChem CID:	48425696
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	312.12407
ΔH_f, kcal/mol:	-94.74
Dipole, Da:	1.29
IP(EA), eV:	-9.39(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenoxy)-N-[2-(diethylamino)-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CCCC1=CC=CC=C1

DOS

IR

Vibrations