Geometry & MOs

Info

ID:	326443
PubChem CID:	126687560
Reduced:	ON4C41H52 (1)
Stoich.:	AB4C41D52 (1)
Weight, g/mol:	336.266445
ΔH_f, kcal/mol:	132.96
Dipole, Da:	3.3
IP(EA), eV:	-7.97(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-[2-methyl-2-[4-(2-methylpentan-2-yl)phenoxy]propoxy]butan-1-ol

Drug info:

PubChemData

Smile

C/C=C(\C=C/C(=C\C)/O/C(=C/C=C(\C=C)/C1=NC(=C(N1)/C=C\C(=C)/C(=C/C=C/2\C(=C)NC(=N2)C(C)(C)C)/C)C=C)/C=C)/C(C)(C)C

DOS

IR

Vibrations