Geometry & MOs

Info

ID:	245000
PubChem CID:	99432073
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	400.199822
ΔH_f, kcal/mol:	-97.65
Dipole, Da:	3.09
IP(EA), eV:	-8.23(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)CN(C)C3=CC=CC=C3

DOS

IR

Vibrations