Geometry & MOs

Info

ID:	48893
PubChem CID:	11528445
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	178.135765
ΔH_f, kcal/mol:	90.27
Dipole, Da:	4.58
IP(EA), eV:	-8.77(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(4-methylphenyl)butan-1-ol

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C3[C@H]1CC3C(=O)C2

DOS

IR

Vibrations