Geometry & MOs

Info

ID:	255756
PubChem CID:	103134562
Reduced:	N5C15H19 (1)
Stoich.:	A5B15C19 (1)
Weight, g/mol:	270.065887
ΔH_f, kcal/mol:	85.56
Dipole, Da:	6.18
IP(EA), eV:	-8.74(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-[(5-methyloxolan-2-yl)methoxy]benzoic acid

Drug info:

PubChemData

Smile

CCNC(CN1C=NC2=CC=CC=C21)C3=NN(C=C3)C

DOS

IR

Vibrations