Geometry & MOs

Info

ID:	164801
PubChem CID:	74454936
Reduced:	O2N5C15H21 (1)
Stoich.:	A2B5C15D21 (1)
Weight, g/mol:	321.161446
ΔH_f, kcal/mol:	8.58
Dipole, Da:	9.81
IP(EA), eV:	-7.6(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 4-(cyclopropylcarbamoyl)-5-(2-fluorophenyl)-1-methylpyrrolidin-1-ium-2-carboxylate

Drug info:

PubChemData

Smile

CN1C(=O)C(=NCC(C2=CC=CC=C2)[NH+](C)C)N=[N+](C1=O)C

DOS

IR

Vibrations