Geometry & MOs

Info

ID:

435806

PubChem CID:

135192474

Reduced:

ClNC9H14 (1)

Stoich.:

ABC9D14 (1)

Weight, g/mol:

623.202335

ΔHf, kcal/mol:

9.79

Dipole, Da:

1.39

IP(EA), eV:

 -9.29(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[4-[2-[amino-[(Z)-2-amino-3,3,3-trifluoroprop-1-enyl]amino]-5-chlorophenyl]-6-oxopyrimidin-1-yl]-10-methyl-5,8-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-9-one

Drug info:

PubChemData

Smile

CC(=C(CN)/C=C\C(=C)Cl)C

DOS

IR

Vibrations