Geometry & MOs

Info

ID:	364741
PubChem CID:	127316047
Reduced:	SO2N4C16H26 (1)
Stoich.:	AB2C4D16E26 (1)
Weight, g/mol:	306.205576
ΔH_f, kcal/mol:	-69.45
Dipole, Da:	3.01
IP(EA), eV:	-8.56(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-3-(oxan-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCOC(C1)CSCC(=O)N2CCN(CC2)CC3=NC=CN3

DOS

IR

Vibrations