Geometry & MOs

Info

ID:	218577
PubChem CID:	85089639
Reduced:	F3N3O3C25H34 (1)
Stoich.:	A3B3C3D25E34 (1)
Weight, g/mol:	481.257671
ΔH_f, kcal/mol:	-304.25
Dipole, Da:	4.83
IP(EA), eV:	-8.94(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-nitrooxyheptyl 15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1(CCC(C1)NC2CCOCC2)C(=O)N3CCC4=C(C3)C=C(C=C4C(=O)N)C(F)(F)F

DOS

IR

Vibrations