Geometry & MOs

Info

ID:	27850
PubChem CID:	823885
Reduced:	OSN2F3H13C16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-150.53
Dipole, Da:	3.64
IP(EA), eV:	-8.96(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations