Geometry & MOs

Info

ID:	220999
PubChem CID:	85248169
Reduced:	O2N5H11C12 (1)
Stoich.:	A2B5C11D12 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	37.21
Dipole, Da:	5.43
IP(EA), eV:	-10.08(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(1-benzofuran-2-yl)-3,4-dihydro-2H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1C(CN2C1C3=NN=NN3C4=CC=CC=C4C2=O)O

DOS

IR

Vibrations