Geometry & MOs

Info

ID:	397973
PubChem CID:	135031210
Reduced:	ON2F3H17C24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	346.02046
ΔH_f, kcal/mol:	-98.69
Dipole, Da:	4.53
IP(EA), eV:	-9.49(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-bromophenyl)-3-formyl-5-methylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3C(=N2)C(F)(F)F)C4=CC=CC=C4

DOS

IR

Vibrations