Geometry & MOs

Info

ID:	201675
PubChem CID:	79568031
Reduced:	BrNSO4C13H18 (1)
Stoich.:	ABCD4E13F18 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-162.95
Dipole, Da:	4.66
IP(EA), eV:	-10.17(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-yl)-2-propan-2-yloxyethanol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Br)S(=O)(=O)NCCC(C)C)C(=O)O

DOS

IR

Vibrations