Geometry & MOs

Info

ID:	213044
PubChem CID:	81062620
Reduced:	BNO4C13H22 (1)
Stoich.:	ABC4D13E22 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-229.61
Dipole, Da:	3.9
IP(EA), eV:	-8.84(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenyl]but-3-yn-1-ol

Drug info:

PubChemData

Smile

B(C1=C(C=C(C=C1)OC)CN(C)CCOCC)(O)O

DOS

IR

Vibrations