Geometry & MOs

Info

ID:	364945
PubChem CID:	127316595
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	279.194677
ΔH_f, kcal/mol:	-93.28
Dipole, Da:	5.07
IP(EA), eV:	-8.49(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-cyclobutylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N(C2=O)C(C)C(=O)N3CCN(CC3)C4CCC4

DOS

IR

Vibrations