Geometry & MOs

Info

ID:	378186
PubChem CID:	134224262
Reduced:	F3O3N6H23C24 (1)
Stoich.:	A3B3C6D23E24 (1)
Weight, g/mol:	269.00514
ΔH_f, kcal/mol:	-187.97
Dipole, Da:	9.44
IP(EA), eV:	-8.96(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(bromomethyl)phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=CC=CC=C3C(=O)C(=O)N(C)C)C(F)(F)F

DOS

IR

Vibrations