Geometry & MOs

Info

ID:	26723
PubChem CID:	794782
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	293.049964
ΔH_f, kcal/mol:	-34.47
Dipole, Da:	6.94
IP(EA), eV:	-9.15(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-4-nitrophenyl) 2,6-difluorobenzoate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)C=O

DOS

IR

Vibrations