Geometry & MOs

Info

ID:

435770

PubChem CID:

135192371

Reduced:

ClO2N9C29H32 (1)

Stoich.:

AB2C9D29E32 (1)

Weight, g/mol:

624.197584

ΔHf, kcal/mol:

60.94

Dipole, Da:

1.94

IP(EA), eV:

 -8.28(-1.24)

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-5,8,16-triazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-9-one

Drug info:

PubChemData

Smile

CC1CCCC(C2=NC=CC(=C2)C3=C(C=NN3C)NC1=O)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)/C(=C/N(C)N)/N

DOS

IR

Vibrations