Geometry & MOs

Info

ID:	204637
PubChem CID:	79990549
Reduced:	BrNS2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	303.06563
ΔH_f, kcal/mol:	43.34
Dipole, Da:	1.99
IP(EA), eV:	-9.0(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine

Drug info:

PubChemData

Smile

CCNC(CC1=CC=CS1)C2=CC(=C(S2)Br)C

DOS

IR

Vibrations