Geometry & MOs

Info

ID:	209119
PubChem CID:	80626921
Reduced:	BrNOSC15H22 (1)
Stoich.:	ABCDE15F22 (1)
Weight, g/mol:	229.186421
ΔH_f, kcal/mol:	-32.21
Dipole, Da:	5.83
IP(EA), eV:	-8.47(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-propyl-1-(thian-2-yl)butan-1-amine

Drug info:

PubChemData

Smile

CNC(CC1=CC(=C(C=C1)OC)Br)C2CCCCS2

DOS

IR

Vibrations