Geometry & MOs

Info

ID:

322527

PubChem CID:

126670377

Reduced:

FO2N7C27H30 (1)

Stoich.:

AB2C7D27E30 (1)

Weight, g/mol:

541.254986

ΔHf, kcal/mol:

8.83

Dipole, Da:

7.75

IP(EA), eV:

 -8.1(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[[4-(5-cyano-3-methyl-2-oxobenzimidazol-1-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-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)N3C=CC4=C3C=CC=C4F)OC

DOS

IR

Vibrations