Geometry & MOs

Info

ID:

336558

PubChem CID:

127255565

Reduced:

O3N11C33H37 (1)

Stoich.:

A3B11C33D37 (1)

Weight, g/mol:

499.269573

ΔHf, kcal/mol:

122.77

Dipole, Da:

5.83

IP(EA), eV:

 -8.18(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-amino-4-[2-(dimethylamino)ethyl-methylamino]-2-methoxyphenyl]-N-[4-(1-methylindol-3-yl)pyrimidin-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)CCON5C6=C(C=CC=N6)N=N5)N(C)CCN(C)C)OC

DOS

IR

Vibrations