Geometry & MOs

Info

ID:	306420
PubChem CID:	125011647
Reduced:	O3N6C20H28 (1)
Stoich.:	A3B6C20D28 (1)
Weight, g/mol:	316.109089
ΔH_f, kcal/mol:	-80.22
Dipole, Da:	6.72
IP(EA), eV:	-9.03(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=NC(=NC(=C1)C)N2CCC3=C(C2)NC(=NC3=O)N4C[C@@H](O[C@H](C4)C)C

DOS

IR

Vibrations