Geometry & MOs

Info

ID:	283785
PubChem CID:	104007630
Reduced:	BrNSO3C15H22 (1)
Stoich.:	ABCD3E15F22 (1)
Weight, g/mol:	346.01643
ΔH_f, kcal/mol:	-131.71
Dipole, Da:	5.04
IP(EA), eV:	-8.84(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[3-(2-hydroxyethoxy)propyl]-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C)SCC(=O)NCCCOCCO

DOS

IR

Vibrations