Geometry & MOs

Info

ID:	189457
PubChem CID:	77860774
Reduced:	O3C15H22 (1)
Stoich.:	A3B15C22 (1)
Weight, g/mol:	345.209264
ΔH_f, kcal/mol:	-113.43
Dipole, Da:	1.99
IP(EA), eV:	-10.21(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(cyclohexylmethoxy)cyclohexa-1,5-dien-1-yl]ethenyl]isoquinoline

Drug info:

PubChemData

Smile

C1C(C(C2C1C(=O)C2)O)C#CCCCCCCO

DOS

IR

Vibrations