Geometry & MOs

Info

ID:	282077
PubChem CID:	103915310
Reduced:	ClN3O5C10H12 (1)
Stoich.:	AB3C5D10E12 (1)
Weight, g/mol:	305.00628
ΔH_f, kcal/mol:	-107.23
Dipole, Da:	4.51
IP(EA), eV:	-9.9(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-fluoro-N,N-bis(2-hydroxyethyl)benzamide

Drug info:

PubChemData

Smile

C1=C(C(=CN=C1Cl)[N+](=O)[O-])C(=O)N(CCO)CCO

DOS

IR

Vibrations