Geometry & MOs

Info

ID:	245007
PubChem CID:	99432108
Reduced:	NO6C23H23 (1)
Stoich.:	AB6C23D23 (1)
Weight, g/mol:	372.106984
ΔH_f, kcal/mol:	-182.44
Dipole, Da:	2.91
IP(EA), eV:	-9.17(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[(5-methyl-4-nitro-1H-pyrazole-3-carbonyl)amino]methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)[C@@H](C)OC3=CC=CC(=C3)C(=O)C

DOS

IR

Vibrations