Geometry & MOs

Info

ID:	175613
PubChem CID:	75927814
Reduced:	ClO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	378.181767
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	4.11
IP(EA), eV:	-9.09(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-1-[(2-pyridin-3-yloxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=CC(=NC=C2)Cl)C(=O)NCC3=CC=CO3

DOS

IR

Vibrations