Geometry & MOs

Info

ID:	9116
PubChem CID:	86210
Reduced:	ClON3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	319.14514
ΔH_f, kcal/mol:	-8.1
Dipole, Da:	2.41
IP(EA), eV:	-9.33(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations