Geometry & MOs

Info

ID:

435769

PubChem CID:

135192370

Reduced:

ON4C16H20 (1)

Stoich.:

AB4C16D20 (1)

Weight, g/mol:

573.236749

ΔHf, kcal/mol:

10.54

Dipole, Da:

7.14

IP(EA), eV:

 -8.35(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-[4-[2-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-5-chlorophenyl]-6-oxopyrimidin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one

Drug info:

PubChemData

Smile

CC1CCCCC2=NC(=CC=C2)C3=C(C=NN3C)NC1=O

DOS

IR

Vibrations