Geometry & MOs

Info

ID:	266129
PubChem CID:	103558478
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	267.163457
ΔH_f, kcal/mol:	-115.1
Dipole, Da:	3.22
IP(EA), eV:	-8.74(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(3-fluorophenyl)-1-(1-methoxycyclobutyl)butan-2-ol

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(CN)C(CC2(CCC2)OC)O

DOS

IR

Vibrations