Geometry & MOs

Info

ID:	403287
PubChem CID:	135059562
Reduced:	NH8C9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	264.099774
ΔH_f, kcal/mol:	94.48
Dipole, Da:	4.5
IP(EA), eV:	-8.89(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-carboxycyclopentyl)-5-methoxybenzoic acid

Drug info:

PubChemData

Smile

CN1C=CN=C1C(=CC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations