Geometry & MOs

Info

ID:	246004
PubChem CID:	103035478
Reduced:	ClNO2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	-109.25
Dipole, Da:	5.62
IP(EA), eV:	-8.75(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)pentan-1-ol

Drug info:

PubChemData

Smile

CC(C)(CCC(C1=C(C=C(C=C1)Cl)N)O)OC

DOS

IR

Vibrations