Geometry & MOs

Info

ID:	288464
PubChem CID:	104316988
Reduced:	ON3C12H27 (1)
Stoich.:	AB3C12D27 (1)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	-71.33
Dipole, Da:	1.91
IP(EA), eV:	-8.42(2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(aminomethyl)phenyl]methyl-methylamino]butan-2-ol

Drug info:

PubChemData

Smile

CC(CCN1CCN(CC1)CCCCN)O

DOS

IR

Vibrations