Geometry & MOs

Info

ID:	262158
PubChem CID:	103274041
Reduced:	BrNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	237.118735
ΔH_f, kcal/mol:	-38.66
Dipole, Da:	4.55
IP(EA), eV:	-8.71(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-methylsulfanylphenoxy)cyclobutyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OC2(CCC2)CCNC(C)C

DOS

IR

Vibrations