Geometry & MOs

Info

ID:	293301
PubChem CID:	117383614
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	252.116173
ΔH_f, kcal/mol:	-168.74
Dipole, Da:	5.28
IP(EA), eV:	-9.29(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-(1-fluoroethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methyl]cyclopropan-1-ol

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC=C1O)C(CCC(=O)O)N

DOS

IR

Vibrations