Geometry & MOs

Info

ID:	277711
PubChem CID:	103830514
Reduced:	BrNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	314.0266
ΔH_f, kcal/mol:	-103.33
Dipole, Da:	2.71
IP(EA), eV:	-9.51(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[3-(dimethylamino)-3-oxopropyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1COCCN1C(=O)C2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations