Geometry & MOs

Info

ID:

105382

PubChem CID:

50107049

Reduced:

O4N5C33H45 (1)

Stoich.:

A4B5C33D45 (1)

Weight, g/mol:

575.347155

ΔHf, kcal/mol:

-161.71

Dipole, Da:

9.43

IP(EA), eV:

 -9.06(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N(C)C)C)C

DOS

IR

Vibrations