Geometry & MOs

Info

ID:	277674
PubChem CID:	103830306
Reduced:	BrN2O3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	319.02079
ΔH_f, kcal/mol:	-61.58
Dipole, Da:	2.78
IP(EA), eV:	-8.82(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-bromo-3-hydroxy-N-methylbenzamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations