Geometry & MOs

Info

ID:

296824

PubChem CID:

117594987

Reduced:

O18C59H84 (1)

Stoich.:

A18B59C84 (1)

Weight, g/mol:

525.129422

ΔHf, kcal/mol:

-676.19

Dipole, Da:

13.13

IP(EA), eV:

 -7.98(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;5,7-dihydroxy-2-methyl-6-(3-methylbut-2-enyl)chromen-4-one;hydrochloride

Drug info:

PubChemData

Smile

CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C.COC1=C(C=C(C=C1)C=CC(=O)O)OC

DOS

IR

Vibrations