Geometry & MOs

Info

ID:

427623

PubChem CID:

135160770

Reduced:

FON8H21C23 (1)

Stoich.:

ABC8D21E23 (1)

Weight, g/mol:

472.233522

ΔHf, kcal/mol:

90.52

Dipole, Da:

6.76

IP(EA), eV:

 -8.93(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[(Z)-4-amino-3-(methyliminomethyl)but-3-enylidene]amino]-N-(3,5-dimethoxyphenyl)-6-(methylideneamino)-N-(pyrimidin-2-ylmethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)OC)F)N(CC2=NC=CN2)C3=NC4=NC(=CN=C4C=C3)C5=CN(N=C5)C

DOS

IR

Vibrations