Geometry & MOs

Info

ID:	425844
PubChem CID:	135128278
Reduced:	SO2N6C21H22 (1)
Stoich.:	AB2C6D21E22 (1)
Weight, g/mol:	229.204179
ΔH_f, kcal/mol:	22.76
Dipole, Da:	2.29
IP(EA), eV:	-8.24(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-hydroxyethyl-(4-propan-2-ylcyclohexyl)amino]ethanol

Drug info:

PubChemData

Smile

C1CC(CCC1NC2=NC(=NC3=C2SC=C3)NC4=CN(N=C4)C5=CC(=CC=C5)O)O

DOS

IR

Vibrations