Geometry & MOs

Info

ID:	9117
PubChem CID:	86211
Reduced:	ClON3C18H24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	333.16079
ΔH_f, kcal/mol:	-14.34
Dipole, Da:	5.18
IP(EA), eV:	-9.32(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC(C)C1CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations