Geometry & MOs

Info

ID:	283020
PubChem CID:	103953534
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-104.64
Dipole, Da:	4.86
IP(EA), eV:	-8.7(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3-hydroxycyclohexyl)methylamino]methyl]benzene-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CC(C)NCC2=C(C(=C(C=C2)O)O)O

DOS

IR

Vibrations