Geometry & MOs

Info

ID:

443525

PubChem CID:

135259253

Reduced:

ON7H13C15 (1)

Stoich.:

AB7C13D15 (1)

Weight, g/mol:

532.22566

ΔHf, kcal/mol:

126.25

Dipole, Da:

5.3

IP(EA), eV:

 -9.04(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(E)-2-[6-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]thieno[2,3-d]pyrimidin-4-yl]ethenyl]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=C3)C(=C1)NC4=NC=NC5=C4NC=N5)C

DOS

IR

Vibrations