Geometry & MOs

Info

ID:	329939
PubChem CID:	127246926
Reduced:	ON4C18H22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	11.17
Dipole, Da:	6.65
IP(EA), eV:	-8.76(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations