Geometry & MOs

Info

ID:	294396
PubChem CID:	117458550
Reduced:	ClN2O2C14H21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	284.117922
ΔH_f, kcal/mol:	-67.31
Dipole, Da:	2.16
IP(EA), eV:	-8.51(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1Cl)OC)CN2CCNCC2)OC

DOS

IR

Vibrations