Geometry & MOs

Info

ID:

169435

PubChem CID:

75104346

Reduced:

N4O7C36H54 (1)

Stoich.:

A4B7C36D54 (1)

Weight, g/mol:

393.143704

ΔHf, kcal/mol:

-326.29

Dipole, Da:

7.77

IP(EA), eV:

 -9.28(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(3,4-dimethoxyphenyl)-2,4,6,13,14-pentazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),11(15),12,16-tetraene-5,7-dione

Drug info:

PubChemData

Smile

CC(CCC(=O)NCC#CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O)C3CCC4C3(C(CC5C4CCC6C5(CCC(C6)O)C)O)C

DOS

IR

Vibrations