Geometry & MOs

Info

ID:	364930
PubChem CID:	127316576
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	252.183778
ΔH_f, kcal/mol:	-92.93
Dipole, Da:	2.6
IP(EA), eV:	-8.54(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclobutylpiperazin-1-yl)-(oxan-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCN(CC1)C2CCC2)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations