Geometry & MOs

Info

ID:	426699
PubChem CID:	135153431
Reduced:	N3O5C24H37 (1)
Stoich.:	A3B5C24D37 (1)
Weight, g/mol:	481.221286
ΔH_f, kcal/mol:	-166.63
Dipole, Da:	4.35
IP(EA), eV:	-8.74(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(2-ethoxycarbonylphenyl)-N-(2-methylpropyl)-2-nitroanilino]-2-azaspiro[3.3]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCC(CC1)N(CC(C)C)C2=C(C=C(C=C2)C(C)CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations