Geometry & MOs

Info

ID:	38551
PubChem CID:	8137044
Reduced:	FN3O4H12C16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-70.91
Dipole, Da:	4.6
IP(EA), eV:	-9.73(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-3-ethoxy-4-propoxybenzamide

Drug info:

PubChemData

Smile

C[C@H](C1=NN=C(O1)C2=CC=C(C=C2)F)OC(=O)C3=CC=[N+](C=C3)[O-]

DOS

IR

Vibrations