Geometry & MOs

Info

ID:	448733
PubChem CID:	135293077
Reduced:	SO3F4N5H23C24 (1)
Stoich.:	AB3C4D5E23F24 (1)
Weight, g/mol:	199.1361
ΔH_f, kcal/mol:	-232.26
Dipole, Da:	10.44
IP(EA), eV:	-9.51(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethenyl-4,5,7-trimethyl-3,4-dihydroisoquinoline

Drug info:

PubChemData

Smile

CC(=S)N(C1=CC(=C(C=C1)C(=O)NCCCO)F)C2(CCC2)C(=O)NC3=CC(=C(N=C3)C#N)C(F)(F)F

DOS

IR

Vibrations