Geometry & MOs

Info

ID:	212978
PubChem CID:	81062435
Reduced:	BFNO3C13H21 (1)
Stoich.:	ABCD3E13F21 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-235.75
Dipole, Da:	4.09
IP(EA), eV:	-9.12(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid

Drug info:

PubChemData

Smile

B(C1=C(C=CC(=C1)CN(C)CCOC(C)C)F)(O)O

DOS

IR

Vibrations