Geometry & MOs

Info

ID:	166650
PubChem CID:	74721913
Reduced:	N2O5C27H33 (1)
Stoich.:	A2B5C27D33 (1)
Weight, g/mol:	310.158923
ΔH_f, kcal/mol:	-137.45
Dipole, Da:	7.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764298
Charge, e:	1

Chem-info

IUPAC name:

N'-propan-2-yl-N-(2-pyrrolidin-1-ium-1-yl-2-thiophen-3-ylethyl)oxamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(=O)N2CCC[NH+]4CCOCC4

DOS

IR

Vibrations