Geometry & MOs

Info

ID:	260496
PubChem CID:	103193945
Reduced:	N2C17H24 (1)
Stoich.:	A2B17C24 (1)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	18.9
Dipole, Da:	5.55
IP(EA), eV:	-8.64(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-nitrophenyl)spiro[3.4]octane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1(CC(C1)(C#N)C2=CC(=CC=C2)N)CCC

DOS

IR

Vibrations