Geometry & MOs

Info

ID:

80266

PubChem CID:

49833784

Reduced:

Cl2N2O2F3H17C25 (1)

Stoich.:

A2B2C2D3E17F25 (1)

Weight, g/mol:

558.285558

ΔHf, kcal/mol:

-172.85

Dipole, Da:

2.31

IP(EA), eV:

 -8.9(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C(C2=C1C3=C(N2)C=CC(=C3)Cl)C4=CC=C(C=C4)C(F)(F)F)C(=O)OC5=CC=CC=C5Cl

DOS

IR

Vibrations