Geometry & MOs

Info

ID:	202588
PubChem CID:	79693776
Reduced:	BrINOSH13C14 (1)
Stoich.:	ABCDEF13G14 (1)
Weight, g/mol:	217.131408
ΔH_f, kcal/mol:	20.15
Dipole, Da:	3.66
IP(EA), eV:	-9.57(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,3-dimethoxyazetidin-1-yl)pentanoic acid

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)Br)NC(=O)C2=CSC(=C2)I

DOS

IR

Vibrations