Geometry & MOs

Info

ID:	68982
PubChem CID:	46514704
Reduced:	FN3O3H26C27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	493.1001
ΔH_f, kcal/mol:	-103.33
Dipole, Da:	6.74
IP(EA), eV:	-8.68(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(3-benzamidophenyl)ethyl-methylamino]-2-oxoethyl]-3-bromobenzamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N(C)C(=O)C3CC(=O)N(C3)C4=CC=CC=C4F

DOS

IR

Vibrations