Geometry & MOs

Info

ID:	131772
PubChem CID:	51260472
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	356.07356
ΔH_f, kcal/mol:	-167.13
Dipole, Da:	4.71
IP(EA), eV:	-8.66(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCCN(C)CC(=O)NC1=CC(=CC=C1)OC

DOS

IR

Vibrations