Geometry & MOs

Info

ID:

435785

PubChem CID:

135192401

Reduced:

NO2C23H41 (1)

Stoich.:

AB2C23D41 (1)

Weight, g/mol:

529.199301

ΔHf, kcal/mol:

-146.97

Dipole, Da:

2.96

IP(EA), eV:

 -8.89(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[1-[(3E)-3-(aminomethylidene)-6-methyl-2-methylimino-5-oxo-4,12-diazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-10-yl]-6-oxopyrimidin-4-yl]-4-chlorophenyl]acetonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1C=C(C=C(C1O)C(C)(C)C)CCCNC2CCCCC2O

DOS

IR

Vibrations