Geometry & MOs

Info

ID:	27617
PubChem CID:	822645
Reduced:	ClO3N5H10C14 (1)
Stoich.:	AB3C5D10E14 (1)
Weight, g/mol:	338.126657
ΔH_f, kcal/mol:	59.52
Dipole, Da:	7.72
IP(EA), eV:	-9.5(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,7R)-4-[(4-hydroxy-3-methoxyphenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione

Drug info:

PubChemData

Smile

CC1=C2[C@@H](C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations