Geometry & MOs

Info

ID:

133209

PubChem CID:

51493771

Reduced:

OSN3C20H26 (1)

Stoich.:

ABC3D20E26 (1)

Weight, g/mol:

316.148359

ΔHf, kcal/mol:

38.05

Dipole, Da:

7.54

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.108347

Charge, e:

 1

Chem-info

IUPAC name:

1H-benzimidazol-2-ylmethyl-[(2R)-2-hydroxypropyl]-[(3-methylthiophen-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)C[NH+](CCCN2C=CN=C2)CC3=CC=C(S3)C

DOS

IR

Vibrations