Geometry & MOs

Info

ID:	342731
PubChem CID:	127265891
Reduced:	FON2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	306.173213
ΔH_f, kcal/mol:	-6.9
Dipole, Da:	0.52
IP(EA), eV:	-9.01(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone

Drug info:

PubChemData

Smile

CC(=CC1=C(C(=CC=C1)OC)F)C2=NC=CN=C2

DOS

IR

Vibrations