Geometry & MOs

Info

ID:	11634
PubChem CID:	118314
Reduced:	SN2O4C16H20 (2)
Stoich.:	AB2C4D16E20 (2)
Weight, g/mol:	672.228757
ΔH_f, kcal/mol:	-233.78
Dipole, Da:	4.53
IP(EA), eV:	-8.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl hydrogen sulfate;2-[4-(2-methyl-3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C2=NC=CC=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.COS(=O)(=O)O.COS(=O)(=O)O

DOS

IR

Vibrations