Geometry & MOs

Info

ID:	84588
PubChem CID:	49868163
Reduced:	O2C21H28 (1)
Stoich.:	A2B21C28 (1)
Weight, g/mol:	378.220928
ΔH_f, kcal/mol:	-63.75
Dipole, Da:	3.27
IP(EA), eV:	-9.11(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-aminoethanol;2-[bis(2-hydroxyethyl)amino]ethanol;propan-2-ol;titanium

Drug info:

PubChemData

Smile

CC1CC2=C(CCC(=O)C2)[C@@H]3C1[C@@H]4CC[C@](C4(CC3)C)(C#C)O

DOS

IR

Vibrations