Geometry & MOs

Info

ID:	406657
PubChem CID:	135078258
Reduced:	OH10C12 (2)
Stoich.:	AB10C12 (2)
Weight, g/mol:	230.13068
ΔH_f, kcal/mol:	3.4
Dipole, Da:	4.53
IP(EA), eV:	-9.62(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-[(E)-3-methylhept-2-en-6-ynyl]phenol

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](C2[C@@]1(OC2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations