Geometry & MOs

Info

ID:	191318
PubChem CID:	78130488
Reduced:	N5O10C31H39 (1)
Stoich.:	A5B10C31D39 (1)
Weight, g/mol:	295.178358
ΔH_f, kcal/mol:	-346.9
Dipole, Da:	6.32
IP(EA), eV:	-8.82(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-2-(3-oxobut-1-enyl)cyclododecan-1-one

Drug info:

PubChemData

Smile

CN1C=C(N=C1C(=O)O)NC(=O)CCCOC2=C(C=C3C(=C2)N(C(C4CCCN4C3=O)OC5CCCCO5)C(=O)OCC=C)OC

DOS

IR

Vibrations