Geometry & MOs

Info

ID:	173994
PubChem CID:	75709965
Reduced:	N3O5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	442.246772
ΔH_f, kcal/mol:	-123.47
Dipole, Da:	6.09
IP(EA), eV:	-9.56(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-N-hexyl-2,6-dihydroxybenzamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCCCC)C(=O)C2=CC=C(C=C2)O

DOS

IR

Vibrations