Geometry & MOs

Info

ID:

180895

PubChem CID:

76700914

Reduced:

N4O6C29H36 (1)

Stoich.:

A4B6C29D36 (1)

Weight, g/mol:

550.287924

ΔHf, kcal/mol:

-243.25

Dipole, Da:

2.67

IP(EA), eV:

 -8.91(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-[[2-[acetyl(methyl)amino]cyclohexyl]methyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)CC2CN3C(=O)CC(C4=C3N2C(=O)C=C4)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations