Geometry & MOs

Info

ID:

176054

PubChem CID:

75988716

Reduced:

O7N9C47H59 (1)

Stoich.:

A7B9C47D59 (1)

Weight, g/mol:

572.195711

ΔHf, kcal/mol:

-264.86

Dipole, Da:

3.58

IP(EA), eV:

 -8.22(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6-methylpyridin-3-yl) N-[4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(C1C(=O)N2CCCC2C(=O)N3C4CCCCC4CC3C(=O)NC(C(=O)NC5(CCCC5)C(=O)NC(C(=O)N1)CC6C=CC7=CC=CC=C7N6)CC8=CNC9=C8C=C(C=C9)O)N

DOS

IR

Vibrations