Geometry & MOs

Info

ID:	416128
PubChem CID:	135089136
Reduced:	FO4N5C23H28 (1)
Stoich.:	AB4C5D23E28 (1)
Weight, g/mol:	366.216809
ΔH_f, kcal/mol:	-146.49
Dipole, Da:	3.89
IP(EA), eV:	-9.56(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]pyridin-4-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CC2=CN(CCOC3=C(C=C(C=C3)F)C(=O)NC4CC5(CCN(CC5)C(=O)C1)OC4)N=N2

DOS

IR

Vibrations