Geometry & MOs

Info

ID:	152423
PubChem CID:	56311349
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	281.189198
ΔH_f, kcal/mol:	14.67
Dipole, Da:	6.29
IP(EA), eV:	-8.3(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylbenzimidazol-2-yl)methyl]-N-prop-2-ynylcyclohexanamine

Drug info:

PubChemData

Smile

C#CCN(CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CS2)C3CCCCC3

DOS

IR

Vibrations