Geometry & MOs

Info

ID:	66112
PubChem CID:	46493530
Reduced:	BrN2O4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	446.12051
ΔH_f, kcal/mol:	-121.07
Dipole, Da:	4.44
IP(EA), eV:	-9.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[4-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C)COCCCNC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations