Geometry & MOs

Info

ID:	12249
PubChem CID:	133488
Reduced:	BN3O5C13H20 (1)
Stoich.:	AB3C5D13E20 (1)
Weight, g/mol:	309.149601
ΔH_f, kcal/mol:	-192.11
Dipole, Da:	4.8
IP(EA), eV:	-9.44(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(6-aminohexylcarbamoyl)-3-nitrophenyl]boronic acid

Drug info:

PubChemData

Smile

B(C1=CC(=C(C=C1)C(=O)NCCCCCCN)[N+](=O)[O-])(O)O

DOS

IR

Vibrations