Geometry & MOs

Info

ID:

383341

PubChem CID:

134975012

Reduced:

N2O5C21H31 (2)

Stoich.:

A2B5C21D31 (2)

Weight, g/mol:

484.304956

ΔHf, kcal/mol:

-485.25

Dipole, Da:

8.38

IP(EA), eV:

 -8.86(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

3-azaniumylpropyl-[4-[3-[[(E)-3-(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-3-yl)prop-2-enoyl]amino]propylamino]butyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)/C=C/C(=O)NCCCN(CCCCN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations