Geometry & MOs

Info

ID:	360387
PubChem CID:	127301032
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	378.141594
ΔH_f, kcal/mol:	20.46
Dipole, Da:	3.42
IP(EA), eV:	-8.55(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N4CCCC(C4)N5C=NC=N5

DOS

IR

Vibrations