Geometry & MOs

Info

ID:	240719
PubChem CID:	93617181
Reduced:	SO2N3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	318.124739
ΔH_f, kcal/mol:	-66.88
Dipole, Da:	3.09
IP(EA), eV:	-8.94(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C)CC(=O)N[C@H]2CCCCNC2=O

DOS

IR

Vibrations