Geometry & MOs

Info

ID:	69844
PubChem CID:	47205525
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	298.03169
ΔH_f, kcal/mol:	-107.62
Dipole, Da:	5.01
IP(EA), eV:	-9.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(=O)NCC(=O)NNC(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations