Geometry & MOs

Info

ID:	279883
PubChem CID:	103845519
Reduced:	NOC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	249.209264
ΔH_f, kcal/mol:	-33.77
Dipole, Da:	3.59
IP(EA), eV:	-9.02(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2,3-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC/C=C/C1=CC=CC=C1)CO

DOS

IR

Vibrations