Geometry & MOs

Info

ID:	50273
PubChem CID:	12012789
Reduced:	AlClN2O2C30H36 (1)
Stoich.:	ABC2D2E30F36 (1)
Weight, g/mol:	240.032
ΔH_f, kcal/mol:	-58.46
Dipole, Da:	5.76
IP(EA), eV:	-8.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dichloropropan-2-yloxy)-3-prop-2-ynoxypropan-2-ol

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC2=CC=CC=C2C(=C1O)C3=C(C(=CC4=CC=CC=C43)CN(CC)CC)O.[Al]Cl

DOS

IR

Vibrations