Geometry & MOs

Info

ID:

318573

PubChem CID:

126651938

Reduced:

O3N5H47C77 (1)

Stoich.:

A3B5C47D77 (1)

Weight, g/mol:

323.257277

ΔHf, kcal/mol:

302.07

Dipole, Da:

3.34

IP(EA), eV:

 -8.1(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S)-2-(2,2-dimethylpropanoyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C/C=C\1/C2=C(C=C3C4=CC=CC=C4OC3=C2)N(/C1=C/C=C)C5=CC=C(C=C5)C6=NC(=NC(=C6)C7=CC=C(C=C7)N8C9=CC=CC=C9C1=C8C=C2C3=CC=CC=C3OC2=C1)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=C1C=C1C3=CC=CC=C3OC1=C2

DOS

IR

Vibrations