Geometry & MOs

Info

ID:	88543
PubChem CID:	49955374
Reduced:	ClON3H17C21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	316.121665
ΔH_f, kcal/mol:	157.44
Dipole, Da:	9.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.151169
Charge, e:	-1

Chem-info

IUPAC name:

5-[(benzylamino)methyl]-1,3-dimethylbenzimidazol-2-one;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/CNC2=CC=CC(=C2)C3=NC4=C(O3)C=CC=N4.[Cl-]

DOS

IR

Vibrations