Geometry & MOs

Info

ID:

190153

PubChem CID:

77959942

Reduced:

ICl2N3O3C29H32 (1)

Stoich.:

AB2C3D3E29F32 (1)

Weight, g/mol:

595.198017

ΔHf, kcal/mol:

-75.29

Dipole, Da:

5.39

IP(EA), eV:

 -9.46(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-chloro-N-[[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]methyl]-N-methyl-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1(CC1)C(=O)N2CCC(CC2)C(=O)N3CC(C(C3)N(C)C(=O)C4=CC=C(C=C4)I)C5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations