Geometry & MOs

Info

ID:	373727
PubChem CID:	131319397
Reduced:	O2H4C5 (2)
Stoich.:	A2B4C5 (2)
Weight, g/mol:	316.99128
ΔH_f, kcal/mol:	-132.73
Dipole, Da:	3.12
IP(EA), eV:	-9.87(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-aminocyclobutyl)-6-iodobenzoic acid

Drug info:

PubChemData

Smile

C1C(=O)C2=CC=CC(=C2O1)CC(=O)O

DOS

IR

Vibrations