Geometry & MOs

Info

ID:	351521
PubChem CID:	127280409
Reduced:	O2N7C20H29 (1)
Stoich.:	A2B7C20D29 (1)
Weight, g/mol:	309.205242
ΔH_f, kcal/mol:	-20.13
Dipole, Da:	6.9
IP(EA), eV:	-8.75(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolan-2-yl)-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2=NNC(=C2)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations