Geometry & MOs

Info

ID:	49178
PubChem CID:	11528792
Reduced:	NO6C9H17 (1)
Stoich.:	AB6C9D17 (1)
Weight, g/mol:	236.079707
ΔH_f, kcal/mol:	-276.05
Dipole, Da:	6.1
IP(EA), eV:	-10.08(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclobutylamino)-3-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[13C@H]1OC)CO)O)O

DOS

IR

Vibrations