Geometry & MOs

Info

ID:	315340
PubChem CID:	126625654
Reduced:	N2F3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	403.114376
ΔH_f, kcal/mol:	-143.13
Dipole, Da:	3.26
IP(EA), eV:	-9.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[6-[4-(trifluoromethyl)cyclohexen-1-yl]pyrimidin-4-yl]methoxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)C1=NC=NC(=C1)C2=CCC(CC2)C(F)(F)F

DOS

IR

Vibrations