Geometry & MOs

Info

ID:	186859
PubChem CID:	77496478
Reduced:	OSN3C20H27 (1)
Stoich.:	ABC3D20E27 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	2.72
Dipole, Da:	7.45
IP(EA), eV:	-8.48(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methylpentan-3-yl)-1,6-dihydrobenzimidazol-2-one

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C(=O)C2CSC(=C2)C3CNNC3)C4=CC=CC=C4

DOS

IR

Vibrations