Geometry & MOs

Info

ID:

232643

PubChem CID:

87576600

Reduced:

NO2C14H15 (4)

Stoich.:

AB2C14D15 (4)

Weight, g/mol:

333.099252

ΔHf, kcal/mol:

-243.59

Dipole, Da:

6.56

IP(EA), eV:

 -8.46(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-amino-4-chloro-7-(2,3-dihydrofuro[3,2-c]pyridin-4-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol

Drug info:

PubChemData

Smile

CCCCCCC#CC1=CC\2=C(NC(=O)/C2=C\C3=C(C4=C(N3)CCCC4=O)CCC(=O)O)C=C1.CCCCCCC#CC1=CC\2=C(NC(=O)/C2=C\C3=C(C4=C(N3)CCCC4=O)CCC(=O)O)C=C1

DOS

IR

Vibrations