Geometry & MOs

Info

ID:	362500
PubChem CID:	127308039
Reduced:	O2N3C24H35 (1)
Stoich.:	A2B3C24D35 (1)
Weight, g/mol:	376.247441
ΔH_f, kcal/mol:	-93.77
Dipole, Da:	3.16
IP(EA), eV:	-9.13(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)CN2CCCC(C2)C(=O)N3CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations