Geometry & MOs

Info

ID:	288186
PubChem CID:	104313252
Reduced:	BrN2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	357.99061
ΔH_f, kcal/mol:	40.44
Dipole, Da:	2.37
IP(EA), eV:	-9.27(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-bromopyridin-2-yl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1=NC=C(C=C1)Br)C2=CC=CC(=C2)C

DOS

IR

Vibrations