Geometry & MOs

Info

ID:	136427
PubChem CID:	52040982
Reduced:	F2N3H15C18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	315.173548
ΔH_f, kcal/mol:	-16.97
Dipole, Da:	3.02
IP(EA), eV:	-8.93(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]-2,3-dihydroindole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=NC(=NC=C2)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations