Geometry & MOs

Info

ID:	11326
PubChem CID:	114028
Reduced:	BrSN3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	339.04048
ΔH_f, kcal/mol:	71.21
Dipole, Da:	2.24
IP(EA), eV:	-8.47(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2-bromothiophen-3-yl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=C(SC=C1)Br)C2=CC=CC=N2

DOS

IR

Vibrations