Geometry & MOs

Info

ID:	249632
PubChem CID:	103090994
Reduced:	ON2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	254.13068
ΔH_f, kcal/mol:	-21.37
Dipole, Da:	3.45
IP(EA), eV:	-9.12(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-methyl-4-(3-phenoxyphenyl)but-3-en-2-ol

Drug info:

PubChemData

Smile

CC(C)N1C=NC=C1/C=C(/C)\C(=O)C

DOS

IR

Vibrations