Geometry & MOs

Info

ID:	165012
PubChem CID:	74484772
Reduced:	O2N5H9C14 (1)
Stoich.:	A2B5C9D14 (1)
Weight, g/mol:	325.155218
ΔH_f, kcal/mol:	40.88
Dipole, Da:	5.68
IP(EA), eV:	-10.22(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-(2-phenylpyrrolidin-1-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=NC3=NC(=O)NC(=O)C23)N)C#N

DOS

IR

Vibrations