Geometry & MOs

Info

ID:

185515

PubChem CID:

77308966

Reduced:

Cl2O2N3C18H19 (1)

Stoich.:

A2B2C3D18E19 (1)

Weight, g/mol:

689.12413

ΔHf, kcal/mol:

-55.35

Dipole, Da:

5.75

IP(EA), eV:

 -9.28(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(4-chlorophenyl)-4-[[methyl-[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyrrolidin-1-yl]-[1-[1-(iodomethyl)cyclopropanecarbonyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C1C(C(CN1)C2=CC=C(C=C2)Cl)CN(CC3=NC=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations