Geometry & MOs

Info

ID:	306421
PubChem CID:	125011652
Reduced:	ClON4C16H17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	316.109089
ΔH_f, kcal/mol:	21.03
Dipole, Da:	2.54
IP(EA), eV:	-9.11(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@](N(C1)CC2=CC(=CC=C2)Cl)(C3=NC=CN=C3)C(=O)N

DOS

IR

Vibrations