Geometry & MOs

Info

ID:	282300
PubChem CID:	103921760
Reduced:	BrFNOC12H17 (1)
Stoich.:	ABCDE12F17 (1)
Weight, g/mol:	229.204179
ΔH_f, kcal/mol:	-86.93
Dipole, Da:	2.4
IP(EA), eV:	-9.4(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-ethoxycyclobutyl)amino]-4,4-dimethylpentan-1-ol

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC(=C1)Br)F)N[C@@H](C)CO

DOS

IR

Vibrations