Geometry & MOs

Info

ID:	64069
PubChem CID:	29195983
Reduced:	FSN3O4C15H22 (1)
Stoich.:	ABC3D4E15F22 (1)
Weight, g/mol:	320.152478
ΔH_f, kcal/mol:	-183.15
Dipole, Da:	2.45
IP(EA), eV:	-8.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide

Drug info:

PubChemData

Smile

COCC(=O)NCCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations