Geometry & MOs

Info

ID:	71864
PubChem CID:	48415551
Reduced:	BrO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-45.38
Dipole, Da:	1.89
IP(EA), eV:	-9.05(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]-2-oxoethyl]-4-ethoxybenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CNC(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations