Geometry & MOs

Info

ID:	330043
PubChem CID:	127247030
Reduced:	ON7C18H19 (1)
Stoich.:	AB7C18D19 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	75.57
Dipole, Da:	5.89
IP(EA), eV:	-8.89(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

CNC1=NC(=CN=C1)C2CCCN2C(=O)C3=CN=C(C=C3)N4C=CN=C4

DOS

IR

Vibrations