Geometry & MOs

Info

ID:	295992
PubChem CID:	117549351
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	227.071306
ΔH_f, kcal/mol:	-91.52
Dipole, Da:	4.18
IP(EA), eV:	-9.17(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[3-(3-chlorophenyl)oxetan-3-yl]ethanol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2(COC2)C(CN)O

DOS

IR

Vibrations