Geometry & MOs

Info

ID:

322464

PubChem CID:

126670212

Reduced:

O3N8C27H32 (1)

Stoich.:

A3B8C27D32 (1)

Weight, g/mol:

572.285952

ΔHf, kcal/mol:

19.55

Dipole, Da:

8.7

IP(EA), eV:

 -8.28(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[[4-[3-cyclopropyl-5-(hydroxymethyl)-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(=N4)CO)OC

DOS

IR

Vibrations