Geometry & MOs

Info

ID:	174349
PubChem CID:	75756658
Reduced:	NO2C13H18 (2)
Stoich.:	AB2C13D18 (2)
Weight, g/mol:	520.208375
ΔH_f, kcal/mol:	-168.65
Dipole, Da:	5.33
IP(EA), eV:	-8.9(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[2-(cyclohexylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-[(5-methylfuran-2-yl)methyl]carbamoyl]-4-nitrophenolate

Drug info:

PubChemData

Smile

CCCCCC(C(=O)NC1CCCCC1)N(CC2=CC=C(O2)C)C(=O)C3=CC=CC=C3O

DOS

IR

Vibrations