Geometry & MOs

Info

ID:	25736
PubChem CID:	629806
Reduced:	O7C36H50 (1)
Stoich.:	A7B36C50 (1)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-349.35
Dipole, Da:	4.92
IP(EA), eV:	-9.8(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5,11-diazatricyclo[8.2.2.24,7]hexadeca-1(13),4(16),5,7(15),10(14),11-hexaene-14,16-dicarboxylate

Drug info:

PubChemData

Smile

CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CCC(C4)OC(=O)C)C)C)O)C(CCC(C)(C)O)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations