Geometry & MOs

Info

ID:	245001
PubChem CID:	99432094
Reduced:	N2O5C22H28 (1)
Stoich.:	A2B5C22D28 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-196.05
Dipole, Da:	1.53
IP(EA), eV:	-9.47(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[[5-methyl-1-(3-methylphenyl)triazole-4-carbonyl]amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)CNC(=O)CC3CCCCC3

DOS

IR

Vibrations