Geometry & MOs

Info

ID:	76904
PubChem CID:	48425555
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	401.07503
ΔH_f, kcal/mol:	-177.71
Dipole, Da:	5.31
IP(EA), eV:	-9.4(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[3-[[2-(diethylamino)-2-oxoethyl]amino]-3-oxopropyl]-5-fluorobenzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=C(C2=C(O1)CC(CC2=O)(C)C)C

DOS

IR

Vibrations