Geometry & MOs

Info

ID:	245905
PubChem CID:	103027410
Reduced:	ON3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	250.19328
ΔH_f, kcal/mol:	-43.41
Dipole, Da:	3.03
IP(EA), eV:	-8.72(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-4-methyl-1-(4-propan-2-ylphenyl)pentan-2-ol

Drug info:

PubChemData

Smile

CCNC(CC1=CC(=NN1C)C)CC(C)(C)OC

DOS

IR

Vibrations