Geometry & MOs

Info

ID:	26564
PubChem CID:	652940
Reduced:	FNSO5C18H18 (1)
Stoich.:	ABCD5E18F18 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-192.55
Dipole, Da:	3.88
IP(EA), eV:	-8.83(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butoxybenzoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC3=C(C=C2)OCO3)O)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations