Geometry & MOs

Info

ID:	27855
PubChem CID:	823927
Reduced:	OSN2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	298.204513
ΔH_f, kcal/mol:	-11.06
Dipole, Da:	3.06
IP(EA), eV:	-8.66(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=CC(=C2)C)C

DOS

IR

Vibrations