Geometry & MOs

Info

ID:	338159
PubChem CID:	127258851
Reduced:	NO4C26H53 (1)
Stoich.:	AB4C26D53 (1)
Weight, g/mol:	342.02152
ΔH_f, kcal/mol:	-287.28
Dipole, Da:	1.5
IP(EA), eV:	-9.95(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-[(E)-2-nitroethenyl]phenyl] N-butylcarbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCOCCOC(=O)NC(CCC)CO

DOS

IR

Vibrations