Geometry & MOs

Info

ID:	69911
PubChem CID:	47205742
Reduced:	FN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-171.97
Dipole, Da:	3.5
IP(EA), eV:	-9.23(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)NCCOC1=CC(=CC=C1)F

DOS

IR

Vibrations