Geometry & MOs

Info

ID:

322461

PubChem CID:

126670206

Reduced:

O4N9C30H35 (1)

Stoich.:

A4B9C30D35 (1)

Weight, g/mol:

574.301602

ΔHf, kcal/mol:

-21.73

Dipole, Da:

9.21

IP(EA), eV:

 -8.79(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)N3C4=C(C=C(C=C4)C(=O)N)N(C3=O)C5CC5)OC

DOS

IR

Vibrations