Geometry & MOs

Info

ID:	240199
PubChem CID:	93576628
Reduced:	Cl2N3O3C21H21 (1)
Stoich.:	A2B3C3D21E21 (1)
Weight, g/mol:	433.095997
ΔH_f, kcal/mol:	-73.38
Dipole, Da:	3.4
IP(EA), eV:	-9.13(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)CN2C3=CC=CC=C3N=C2COC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations