Geometry & MOs

Info

ID:	175612
PubChem CID:	75927813
Reduced:	ClO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	319.108754
ΔH_f, kcal/mol:	-7.3
Dipole, Da:	4.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765478
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC([NH+](C1)CC2=CC(=NC=C2)Cl)C(=O)NCC3=CC=CO3

DOS

IR

Vibrations