Geometry & MOs

Info

ID:	146305
PubChem CID:	53667261
Reduced:	F5C28H39 (1)
Stoich.:	A5B28C39 (1)
Weight, g/mol:	325.123342
ΔH_f, kcal/mol:	-296.42
Dipole, Da:	6.11
IP(EA), eV:	-9.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-chlorophenyl)ethenyl]-6-propoxy-3,4-dihydroisoquinoline

Drug info:

PubChemData

Smile

CCC=CCCCC1CCC(CC1)CCC2CCC(CC2)C3=CC(=C(C(=C3)F)C(F)(F)F)F

DOS

IR

Vibrations