Geometry & MOs

Info

ID:

181624

PubChem CID:

76766991

Reduced:

O5N7C24H40 (1)

Stoich.:

A5B7C24D40 (1)

Weight, g/mol:

1778.075953

ΔHf, kcal/mol:

-184.4

Dipole, Da:

3.39

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753836

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(CCC(=O)N)C(=O)[N+](C)(C)C(CCCN=C(N)N)C(=O)N(C)C(CC1=CC=C(C=C1)O)C(=O)N

DOS

IR

Vibrations