Geometry & MOs

Info

ID:	279910
PubChem CID:	103845610
Reduced:	NO2C16H27 (1)
Stoich.:	AB2C16D27 (1)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	-74.38
Dipole, Da:	4.0
IP(EA), eV:	-8.75(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[(1-ethylbenzimidazol-2-yl)methylamino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=CC=C(O1)C2CC2C)CO

DOS

IR

Vibrations