Geometry & MOs

Info

ID:	85881
PubChem CID:	49879873
Reduced:	ClN2O2C23H32 (1)
Stoich.:	AB2C2D23E32 (1)
Weight, g/mol:	433.095997
ΔH_f, kcal/mol:	-28.75
Dipole, Da:	1.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750073
Charge, e:	-2

Chem-info

IUPAC name:

3-(1H-benzimidazol-2-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxychromen-4-one;dichloride

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O.[Cl-]

DOS

IR

Vibrations