Geometry & MOs

Info

ID:	214285
PubChem CID:	84974913
Reduced:	N2O4C18H23 (1)
Stoich.:	A2B4C18D23 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-129.52
Dipole, Da:	8.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.982245
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(3-carbamoylpiperidin-1-yl)methyl]-1-benzofuran-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCCC(C3)C(=O)N

DOS

IR

Vibrations