Geometry & MOs

Info

ID:	206420
PubChem CID:	80249416
Reduced:	BrSN2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	323.03433
ΔH_f, kcal/mol:	41.15
Dipole, Da:	2.68
IP(EA), eV:	-8.39(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNC2=C(C=C(C=C2)Br)N

DOS

IR

Vibrations