Geometry & MOs

Info

ID:	38500
PubChem CID:	8136921
Reduced:	NCl3O4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-173.25
Dipole, Da:	4.64
IP(EA), eV:	-9.28(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-4-oxo-4-(4-propylphenyl)butanamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](C)OC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl

DOS

IR

Vibrations