Geometry & MOs

Info

ID:	207597
PubChem CID:	80423980
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	365.0449
ΔH_f, kcal/mol:	31.81
Dipole, Da:	4.28
IP(EA), eV:	-6.77(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenyl)sulfanyl-1-(2-propan-2-yloxyphenyl)ethanamine

Drug info:

PubChemData

Smile

CCC1(CCCCCN1)C2=CC=CC=C2OC(C)C

DOS

IR

Vibrations