Geometry & MOs

Info

ID:	347073
PubChem CID:	127271577
Reduced:	SO2N4C16H26 (1)
Stoich.:	AB2C4D16E26 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-67.76
Dipole, Da:	2.16
IP(EA), eV:	-9.1(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-N-[1-(oxolan-2-yl)propan-2-yl]-2-phenylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)N2CCN(CC2)CC3=CSC=N3

DOS

IR

Vibrations