Geometry & MOs

Info

ID:	409166
PubChem CID:	135081945
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	500.351079
ΔH_f, kcal/mol:	-143.74
Dipole, Da:	5.39
IP(EA), eV:	-9.47(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1CCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2N=C=O)C=C3

DOS

IR

Vibrations