Geometry & MOs

Info

ID:	203728
PubChem CID:	79862528
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	251.199762
ΔH_f, kcal/mol:	-44.27
Dipole, Da:	4.04
IP(EA), eV:	-9.23(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclopentan-1-ol

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CC2(CCCC2(C)C)O

DOS

IR

Vibrations