Geometry & MOs

Info

ID:	68832
PubChem CID:	46509178
Reduced:	ON7C22H25 (1)
Stoich.:	AB7C22D25 (1)
Weight, g/mol:	472.148159
ΔH_f, kcal/mol:	60.15
Dipole, Da:	8.92
IP(EA), eV:	-9.29(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC=NN12)C)CCC(=O)N3CCCC(C3)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations