Geometry & MOs

Info

ID:	342654
PubChem CID:	127265814
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	303.162314
ΔH_f, kcal/mol:	-13.83
Dipole, Da:	5.31
IP(EA), eV:	-8.86(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)hex-5-yn-1-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)NC1CCN(CC1)C2=NN=CC=C2

DOS

IR

Vibrations