Geometry & MOs

Info

ID:	200975
PubChem CID:	79468198
Reduced:	NF2O5C13H15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	216.183778
ΔH_f, kcal/mol:	-300.82
Dipole, Da:	4.05
IP(EA), eV:	-9.52(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-aminocyclohexyl)-methylamino]-3-methoxypropan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)NCCOCC(=O)O)OC(F)F

DOS

IR

Vibrations