Geometry & MOs

Info

ID:	69874
PubChem CID:	47205665
Reduced:	BrN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-84.64
Dipole, Da:	3.5
IP(EA), eV:	-9.77(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-ethylanilino)-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)NC(C)C1=CC=CC=C1Br

DOS

IR

Vibrations