Geometry & MOs

Info

ID:

106348

PubChem CID:

50158814

Reduced:

O4N5C33H45 (1)

Stoich.:

A4B5C33D45 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-163.36

Dipole, Da:

4.56

IP(EA), eV:

 -8.71(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-methyl-5-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)C)C

DOS

IR

Vibrations