Geometry & MOs

Info

ID:	129431
PubChem CID:	51072566
Reduced:	NSO2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	-76.51
Dipole, Da:	3.26
IP(EA), eV:	-9.1(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbut-2-en-1-one

Drug info:

PubChemData

Smile

COCCNC(=O)CCCC1=CC=CS1

DOS

IR

Vibrations