Geometry & MOs

Info

ID:	84197
PubChem CID:	49864988
Reduced:	O3N5C32H37 (1)
Stoich.:	A3B5C32D37 (1)
Weight, g/mol:	298.088434
ΔH_f, kcal/mol:	-46.38
Dipole, Da:	5.12
IP(EA), eV:	-8.78(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-[(2-chloro-4-fluorophenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CCOC5=CC=CC=C5)CC6=CC=NC=C6

DOS

IR

Vibrations