Geometry & MOs

Info

ID:	56155
PubChem CID:	17422273
Reduced:	BrN2O2C18H21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-39.32
Dipole, Da:	2.21
IP(EA), eV:	-8.78(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-yl-N-phenylpropanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(CNC(=O)C2=CC=CC=C2Br)C3=CC=CO3

DOS

IR

Vibrations