Geometry & MOs

Info

ID:	351534
PubChem CID:	127280422
Reduced:	O3N5C18H29 (1)
Stoich.:	A3B5C18D29 (1)
Weight, g/mol:	385.236542
ΔH_f, kcal/mol:	-89.85
Dipole, Da:	4.0
IP(EA), eV:	-9.31(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-phenyloxane-4-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)CCC(=O)N2CCN(CC2)C(=O)CN3CCCC3

DOS

IR

Vibrations