Geometry & MOs

Info

ID:	249671
PubChem CID:	103091234
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-53.64
Dipole, Da:	2.69
IP(EA), eV:	-8.18(1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CCN1C(=CC(=C1C)/C=C(/C)\C(C)O)C

DOS

IR

Vibrations