Geometry & MOs

Info

ID:	79747
PubChem CID:	49830241
Reduced:	BrN3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	481.1001
ΔH_f, kcal/mol:	-45.57
Dipole, Da:	4.38
IP(EA), eV:	-8.85(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylamino]-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CNCC2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations