Geometry & MOs

Info

ID:

322463

PubChem CID:

126670210

Reduced:

O3N8C27H32 (1)

Stoich.:

A3B8C27D32 (1)

Weight, g/mol:

516.259737

ΔHf, kcal/mol:

-4.84

Dipole, Da:

5.3

IP(EA), eV:

 -8.52(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[5-(hydroxymethyl)pyrrolo[3,2-b]pyridin-1-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N(C1=O)C3=NC(=NC=C3)NC4=CC(=C(C=C4CO)N(C)CCN(C)C)NC(=O)C=C

DOS

IR

Vibrations