Geometry & MOs

Info

ID:	373597
PubChem CID:	131317671
Reduced:	BrNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	145.110279
ΔH_f, kcal/mol:	13.39
Dipole, Da:	6.5
IP(EA), eV:	-9.16(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methoxypropan-2-yl)azetidin-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=C2C=CC=C(C2C(=O)N=C1)Br

DOS

IR

Vibrations