Geometry & MOs

Info

ID:

80310

PubChem CID:

49833983

Reduced:

ClFN4O5C33H34 (1)

Stoich.:

ABC4D5E33F34 (1)

Weight, g/mol:

531.238273

ΔHf, kcal/mol:

-184.96

Dipole, Da:

5.38

IP(EA), eV:

 -8.87(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-ethyl-3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]pyrazol-4-yl]-N-(2-methoxyphenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)CC(COC2=CC=C(C=C2)C3C4=C(CCN3C(=O)OC5=CC=C(C=C5)F)C6=C(N4)C=CC(=C6)Cl)O

DOS

IR

Vibrations