Geometry & MOs

Info

ID:	38495
PubChem CID:	8136906
Reduced:	N2O5C13H16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	384.06847
ΔH_f, kcal/mol:	-130.26
Dipole, Da:	7.27
IP(EA), eV:	-9.69(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-5-methoxy-4-propoxybenzamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H](C)OC(=O)CC1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations