Geometry & MOs

Info

ID:

214334

PubChem CID:

84975188

Reduced:

O2N3C18H28 (1)

Stoich.:

A2B3C18D28 (1)

Weight, g/mol:

317.210327

ΔHf, kcal/mol:

-78.42

Dipole, Da:

4.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756511

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)N

DOS

IR

Vibrations