Geometry & MOs

Info

ID:	192473
PubChem CID:	78273527
Reduced:	SO2N6C25H30 (1)
Stoich.:	AB2C6D25E30 (1)
Weight, g/mol:	234.185789
ΔH_f, kcal/mol:	24.47
Dipole, Da:	8.26
IP(EA), eV:	-7.69(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclohexylmethyl-(2-hydroxy-2-phenylethyl)azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2CCCO2)C)C3=CSC(=NN3)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

DOS

IR

Vibrations