Geometry & MOs

Info

ID:	147371
PubChem CID:	53787027
Reduced:	O3N6C28H32 (1)
Stoich.:	A3B6C28D32 (1)
Weight, g/mol:	200.08373
ΔH_f, kcal/mol:	-14.73
Dipole, Da:	14.61
IP(EA), eV:	-9.63(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-azulen-1-ylpropanoic acid

Drug info:

PubChemData

Smile

CCCCC1=NC(=O)C(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CCC)CCC(=O)O

DOS

IR

Vibrations