Geometry & MOs

Info

ID:	161619
PubChem CID:	57392156
Reduced:	ClO4H23C26 (1)
Stoich.:	AB4C23D26 (1)
Weight, g/mol:	385.176582
ΔH_f, kcal/mol:	-38.34
Dipole, Da:	6.32
IP(EA), eV:	-8.41(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(1-methylpiperidin-4-yl)ethenyl]-6-[2-(trifluoromethyl)phenyl]-1H-benzimidazole

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H]3[C@H](C1=CC4=C(O2)C=CC(=C4)Cl)C5=C(C6=CC=CC=C6OC5=O)OC3(C)C

DOS

IR

Vibrations