Geometry & MOs

Info

ID:	68136
PubChem CID:	46507818
Reduced:	SO3N7C22H25 (1)
Stoich.:	AB3C7D22E25 (1)
Weight, g/mol:	250.110613
ΔH_f, kcal/mol:	-11.99
Dipole, Da:	9.81
IP(EA), eV:	-8.65(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-methylphenyl)ethenyl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CN2C(=O)N3C=NC4=C(C3=N2)N=C(S4)N5CCCCCC5

DOS

IR

Vibrations