Geometry & MOs

Info

ID:	399102
PubChem CID:	135037784
Reduced:	O7C35H36 (1)
Stoich.:	A7B35C36 (1)
Weight, g/mol:	190.135765
ΔH_f, kcal/mol:	-186.29
Dipole, Da:	3.62
IP(EA), eV:	-8.3(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethoxy-3-methylbut-3-enyl)benzene

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C[C@@H]2[C@H](C[C@@H](O2)CC(=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)O)OCC5=CC=CC=C5

DOS

IR

Vibrations