Geometry & MOs

Info

ID:	69066
PubChem CID:	46517461
Reduced:	BrN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	350.0266
ΔH_f, kcal/mol:	-95.16
Dipole, Da:	3.05
IP(EA), eV:	-8.73(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC2=CC3=C(C=C2)NC(=O)CC3)Br

DOS

IR

Vibrations