Geometry & MOs

Info

ID:	165181
PubChem CID:	74512269
Reduced:	N2O2C19H25 (1)
Stoich.:	A2B2C19D25 (1)
Weight, g/mol:	381.217818
ΔH_f, kcal/mol:	-31.33
Dipole, Da:	2.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.985908
Charge, e:	1

Chem-info

IUPAC name:

3,4,6-trimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

DOS

IR

Vibrations