Geometry & MOs

Info

ID:	293275
PubChem CID:	117380859
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-125.13
Dipole, Da:	4.99
IP(EA), eV:	-8.93(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC(=C1OC)OC)CN=C=O

DOS

IR

Vibrations