Geometry & MOs

Info

ID:	259513
PubChem CID:	103167215
Reduced:	BrNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	341.09904
ΔH_f, kcal/mol:	-34.62
Dipole, Da:	2.55
IP(EA), eV:	-9.54(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol

Drug info:

PubChemData

Smile

C1CC(C1)CC(C(CN)C2=CC(=CC=C2)Br)O

DOS

IR

Vibrations