Geometry & MOs

Info

ID:

379008

PubChem CID:

134228867

Reduced:

O3N4H16C18 (1)

Stoich.:

A3B4C16D18 (1)

Weight, g/mol:

558.306687

ΔHf, kcal/mol:

31.16

Dipole, Da:

1.65

IP(EA), eV:

 -9.3(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)CN2C(=C(N=C2C3=CC=NC=C3)C)C(=O)N=O

DOS

IR

Vibrations