Geometry & MOs

Info

ID:	259462
PubChem CID:	103166066
Reduced:	BrClSC11H14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	4.54
Dipole, Da:	1.69
IP(EA), eV:	-9.21(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethoxycyclobutyl)-N-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(CC2CCC2)Br)Cl

DOS

IR

Vibrations