Geometry & MOs

Info

ID:	350340
PubChem CID:	127277418
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-47.81
Dipole, Da:	7.12
IP(EA), eV:	-8.61(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C(=NN12)C)C(=O)NCC3CCCN3CCOC)C

DOS

IR

Vibrations