Geometry & MOs

Info

ID:	395484
PubChem CID:	135025577
Reduced:	NH23C25 (1)
Stoich.:	AB23C25 (1)
Weight, g/mol:	273.15175
ΔH_f, kcal/mol:	133.87
Dipole, Da:	0.91
IP(EA), eV:	-8.97(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylethynyl)-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

C=CCN(CC1=CC=CC=C1)C(C#CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations