Geometry & MOs

Info

ID:	28952
PubChem CID:	830842
Reduced:	N2O3H12C17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	272.121258
ΔH_f, kcal/mol:	-24.67
Dipole, Da:	6.07
IP(EA), eV:	-9.48(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-propan-2-ylphenyl) 4-fluorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC=CN2C(=O)C3=CC=CC=C3C(=O)O

DOS

IR

Vibrations