Geometry & MOs

Info

ID:	283509
PubChem CID:	103986539
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	248.17763
ΔH_f, kcal/mol:	-89.01
Dipole, Da:	2.58
IP(EA), eV:	-9.25(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxolan-3-yl)-3-(2,4,6-trimethylphenyl)propan-2-ol

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)CC(CC2CCOC2)O)CC

DOS

IR

Vibrations