Geometry & MOs

Info

ID:	324374
PubChem CID:	126677538
Reduced:	ON2C20H22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	250.19328
ΔH_f, kcal/mol:	15.72
Dipole, Da:	4.77
IP(EA), eV:	-8.9(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,4,4-tetramethyl-5-phenylmethoxypentan-1-ol

Drug info:

PubChemData

Smile

C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)O)CCC3=CC(=CC=C3)C#N

DOS

IR

Vibrations