Geometry & MOs

Info

ID:	399591
PubChem CID:	135041095
Reduced:	BrO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	25.47
Dipole, Da:	2.39
IP(EA), eV:	-9.7(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-phenylethyl]-N-prop-2-enylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=C(C(=CC=C1)Br)C=C)N=[N+]=[N-]

DOS

IR

Vibrations