Geometry & MOs

Info

ID:	151310
PubChem CID:	53801040
Reduced:	O3N4C15H26 (1)
Stoich.:	A3B4C15D26 (1)
Weight, g/mol:	244.096026
ΔH_f, kcal/mol:	-54.35
Dipole, Da:	6.38
IP(EA), eV:	-9.0(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-methyl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,6,8,10-pentaene-11-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(CC1)C(=O)ON2C3CCCCC3[NH+](N=C2N)[O-]

DOS

IR

Vibrations