Geometry & MOs

Info

ID:	147799
PubChem CID:	53787457
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	431.232125
ΔH_f, kcal/mol:	38.66
Dipole, Da:	6.41
IP(EA), eV:	-9.29(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-hydroxy-3-phenylpiperidin-1-yl)piperidin-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NN=N2)OCCC3CCCC3

DOS

IR

Vibrations