Geometry & MOs

Info

ID:	342395
PubChem CID:	127265218
Reduced:	N2O5C17H20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	311.01571
ΔH_f, kcal/mol:	-71.37
Dipole, Da:	4.19
IP(EA), eV:	-8.64(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromoprop-2-enyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COCC1=CC=C(O1)C2CCCN2C3=C(C(=CC=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations