Geometry & MOs

Info

ID:

110908

PubChem CID:

50343919

Reduced:

NOC6H8 (6)

Stoich.:

ABC6D8 (6)

Weight, g/mol:

547.315855

ΔHf, kcal/mol:

-248.84

Dipole, Da:

4.89

IP(EA), eV:

 -7.98(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[4-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5)OC

DOS

IR

Vibrations