Geometry & MOs

Info

ID:	293609
PubChem CID:	117394258
Reduced:	ON4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	256.147473
ΔH_f, kcal/mol:	44.19
Dipole, Da:	4.16
IP(EA), eV:	-8.54(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(N1)C=C(C=C2)C3=C(ON=C3)N

DOS

IR

Vibrations