Geometry & MOs

Info

ID:	175611
PubChem CID:	75927812
Reduced:	ClO2N5C25H30 (1)
Stoich.:	AB2C5D25E30 (1)
Weight, g/mol:	320.11658
ΔH_f, kcal/mol:	-29.4
Dipole, Da:	3.73
IP(EA), eV:	-9.54(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(2-chloropyridin-4-yl)methyl]-N-(furan-2-ylmethyl)pyrrolidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCN(CC2=CC(=NC=C2)Cl)C3C(N(C(=O)NC3=O)CC4=CC=CC=C4)N

DOS

IR

Vibrations