Geometry & MOs

Info

ID:	174127
PubChem CID:	75728193
Reduced:	N2O5C24H36 (1)
Stoich.:	A2B5C24D36 (1)
Weight, g/mol:	462.309372
ΔH_f, kcal/mol:	-255.81
Dipole, Da:	4.7
IP(EA), eV:	-9.23(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-1-(2,4,6-trihydroxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-propylcyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCCN(C(C1=C(C=C(C=C1O)O)O)C(=O)NC2CCCCC2)C(=O)C3CCCCC3

DOS

IR

Vibrations