Geometry & MOs

Info

ID:	342279
PubChem CID:	127265056
Reduced:	ClOSN3C18H18 (1)
Stoich.:	ABCD3E18F18 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	13.27
Dipole, Da:	4.36
IP(EA), eV:	-9.05(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(furan-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=CC2=CC3=CC=CC(=C3N=C2Cl)C)NC1=S

DOS

IR

Vibrations