Geometry & MOs

Info

ID:	19917
PubChem CID:	575063
Reduced:	BrClN2O2C13H16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	346.00837
ΔH_f, kcal/mol:	-72.25
Dipole, Da:	2.08
IP(EA), eV:	-9.05(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-chlorophenyl)-3-morpholin-4-ylpropanamide

Drug info:

PubChemData

Smile

C1COCCN1CCC(=O)NC2=C(C=C(C=C2)Br)Cl

DOS

IR

Vibrations